N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide

C17H26N2O3 — CID 124830459

IUPACN-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide
SMILESC[C@@H]1[C@@H](CC(=O)NCC2CC2)COCCN1Cc1ccoc1
InChIInChI=1S/C17H26N2O3/c1-13-16(8-17(20)18-9-14-2-3-14)12-22-7-5-19(13)10-15-4-6-21-11-15/h4,6,11,13-14,16H,2-3,5,7-10,12H2,1H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyAZVMOGBLMUJDHM-CJNGLKHVSA-N
MW306.41 g/mol
LogP2.03
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide

N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide (PubChem CID 124830459) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide
PubChem CID124830459
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide
SMILESC[C@@H]1[C@@H](CC(=O)NCC2CC2)COCCN1Cc1ccoc1
InChIInChI=1S/C17H26N2O3/c1-13-16(8-17(20)18-9-14-2-3-14)12-22-7-5-19(13)10-15-4-6-21-11-15/h4,6,11,13-14,16H,2-3,5,7-10,12H2,1H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyAZVMOGBLMUJDHM-CJNGLKHVSA-N
XLogP2.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486517
(3aR,5S,7aR)-N-(cyclopropylmethyl)-1-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461407
2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 56915787
2-[(3aR,7S,7aS)-2-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
CID 97379887
2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
CID 97364723
(2S,3aS,7aS)-6-(furan-3-ylmethyl)-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366695
(2S,3aR,7aR)-6-(furan-3-ylmethyl)-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124783043
N-(furan-3-ylmethyl)-1-(oxan-3-yl)methanamine
CID 63001698
tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate
CID 103554111
2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide
CID 91829648
2-[(3aR,7S,7aS)-2-[(4-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155836827
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide (CID 124830459) is N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide is C[C@@H]1[C@@H](CC(=O)NCC2CC2)COCCN1Cc1ccoc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide?
The InChIKey is AZVMOGBLMUJDHM-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-16(8-17(20)18-9-14-2-3-14)12-22-7-5-19(13)10-15-4-6-21-11-15/h4,6,11,13-14,16H,2-3,5,7-10,12H2,1H3,(H,18,20)/t13-,16+/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide?
N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide is sourced from PubChem (CID 124830459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).