N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide

C20H30N4O3 — CID 155502595

IUPACN-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCCC(CC)C(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnc(C)[nH]3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H30N4O3/c1-4-13(5-2)19(26)24-10-15-14(17-6-7-20(15,11-24)27-17)8-22-18(25)16-9-21-12(3)23-16/h9,13-15,17H,4-8,10-11H2,1-3H3,(H,21,23)(H,22,25)/t14-,15+,17+,20+/m0/s1
InChIKeyVNULHZOOYIYILJ-DKYLXPRQSA-N
MW374.49 g/mol
LogP1.89
Rot. Bonds6

About N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide

N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 155502595) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide
PubChem CID155502595
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCCC(CC)C(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnc(C)[nH]3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H30N4O3/c1-4-13(5-2)19(26)24-10-15-14(17-6-7-20(15,11-24)27-17)8-22-18(25)16-9-21-12(3)23-16/h9,13-15,17H,4-8,10-11H2,1-3H3,(H,21,23)(H,22,25)/t14-,15+,17+,20+/m0/s1
InChIKeyVNULHZOOYIYILJ-DKYLXPRQSA-N
XLogP1.89
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

2-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-5-carboxamide
CID 155504143
2-methyl-N-[[(1S,5S,6R,7R)-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-5-carboxamide
CID 155491652
(1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide
CID 155508425
N-[[(1S,5S,6R,7R)-3-(cyclopropanecarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-2-carboxamide
CID 155508889
2-ethyl-N-[[(1S,5S,6R,7R)-3-(1,2-thiazol-4-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
CID 155499516
N-[[(1S,5S,6R,7R)-3-(cyclopent-3-ene-1-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-methylpyrazine-2-carboxamide;formic acid
CID 171338650
N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
CID 155497148
(1S,5S,6R,7R)-6-[[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide
CID 155491852
N-[[(1S,5S,6R,7R)-3-(3-ethoxypropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5,6-dimethylpyridine-3-carboxamide
CID 155498216
N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-ethylbutanamide
CID 155506093
(1S,5S,6R,7R)-N-tert-butyl-6-[[(3-methylfuran-2-carbonyl)amino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide
CID 155502991
2-(3-methylphenyl)-N-[[(1S,5S,6R,7R)-3-(1H-pyrazole-5-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 165424147

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide (CID 155502595) is N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide is CCC(CC)C(=O)N1C[C@@H]2[C@H](CNC(=O)c3cnc(C)[nH]3)[C@H]3CC[C@]2(C1)O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is VNULHZOOYIYILJ-DKYLXPRQSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-4-13(5-2)19(26)24-10-15-14(17-6-7-20(15,11-24)27-17)8-22-18(25)16-9-21-12(3)23-16/h9,13-15,17H,4-8,10-11H2,1-3H3,(H,21,23)(H,22,25)/t14-,15+,17+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide?
N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(2-ethylbutanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 155502595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).