N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide

C14H22N4O2 — CID 51079775

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCC(Cn1ccnc1)NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H22N4O2/c1-12(9-17-8-6-15-11-17)16-13(19)10-18-7-4-2-3-5-14(18)20/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,16,19)
InChIKeyKQNOJDJNDOUWDR-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.79
Rot. Bonds5

About N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide

N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 51079775) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID51079775
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCC(Cn1ccnc1)NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H22N4O2/c1-12(9-17-8-6-15-11-17)16-13(19)10-18-7-4-2-3-5-14(18)20/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,16,19)
InChIKeyKQNOJDJNDOUWDR-UHFFFAOYSA-N
XLogP0.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 95765376
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide
CID 81256957
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 31360865
2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide
CID 94024335
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 118777088
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 125164936
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide (CID 51079775) is N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide is CC(Cn1ccnc1)NC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is KQNOJDJNDOUWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-12(9-17-8-6-15-11-17)16-13(19)10-18-7-4-2-3-5-14(18)20/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,16,19).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide?
N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 51079775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).