4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide

C17H28N4O2 — CID 56901387

IUPAC4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide
SMILESCc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-13-18-8-10-21(13)9-2-3-17(22)20-16-5-4-15(16)19-14-6-11-23-12-7-14/h8,10,14-16,19H,2-7,9,11-12H2,1H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyYCKIVFOXMXHBOI-CVEARBPZSA-N
MW320.44 g/mol
LogP1.39
Rot. Bonds7

About 4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide

4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide (PubChem CID 56901387) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide
PubChem CID56901387
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide
SMILESCc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-13-18-8-10-21(13)9-2-3-17(22)20-16-5-4-15(16)19-14-6-11-23-12-7-14/h8,10,14-16,19H,2-7,9,11-12H2,1H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyYCKIVFOXMXHBOI-CVEARBPZSA-N
XLogP1.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53561047
2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53571257
N-(2-acetamidoethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 72144067
4-(1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]butanamide dihydrochloride
CID 72848179
2-(2-isopropyl-1H-imidazol-1-yl)-N-(tetrahydro-2H-pyran-4-yl)propanamide
CID 72858484
3-(2-methyl-1H-imidazol-1-yl)-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]propanamide dihydrochloride
CID 72904742
1-(Oxan-4-yl)-4-[(1-propylimidazol-2-yl)methyl]-1,4-diazepane-6-carboxamide
CID 118740254
ethyl 4-((2-(2-methyl-1H-imidazol-1-yl)ethyl)amino)-4-oxobutanoate
CID 52992834
N-cyclopentyl-N'-(2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}ethyl)urea
CID 56742077
1-(cyclopropylcarbonyl)-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72842055
1-(cyclobutylcarbonyl)-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72851366
[3-[Ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197184

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide?
The IUPAC name of 4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide (CID 56901387) is 4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide is Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide?
The InChIKey is YCKIVFOXMXHBOI-CVEARBPZSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-18-8-10-21(13)9-2-3-17(22)20-16-5-4-15(16)19-14-6-11-23-12-7-14/h8,10,14-16,19H,2-7,9,11-12H2,1H3,(H,20,22)/t15-,16+/m1/s1.
What are the key properties of 4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide?
4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide has a molecular weight of 320.44 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]butanamide is sourced from PubChem (CID 56901387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).