2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide

C16H28N4O — CID 60846927

IUPAC2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)CNC1CCCC1
InChIInChI=1S/C16H28N4O/c1-16(2,3)14(11-20-9-8-17-12-20)19-15(21)10-18-13-6-4-5-7-13/h8-9,12-14,18H,4-7,10-11H2,1-3H3,(H,19,21)
InChIKeyOLYXOKTYPVLRCE-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.95
Rot. Bonds6

About 2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide

2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide (PubChem CID 60846927) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
PubChem CID60846927
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)CNC1CCCC1
InChIInChI=1S/C16H28N4O/c1-16(2,3)14(11-20-9-8-17-12-20)19-15(21)10-18-13-6-4-5-7-13/h8-9,12-14,18H,4-7,10-11H2,1-3H3,(H,19,21)
InChIKeyOLYXOKTYPVLRCE-UHFFFAOYSA-N
XLogP1.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
CID 60843290
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 97445983
2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 98880632
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine
CID 43749491
(1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 166316616
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)oxolane-3-carboxamide
CID 66240017

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide (CID 60846927) is 2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide is CC(C)(C)C(Cn1ccnc1)NC(=O)CNC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide?
The InChIKey is OLYXOKTYPVLRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)14(11-20-9-8-17-12-20)19-15(21)10-18-13-6-4-5-7-13/h8-9,12-14,18H,4-7,10-11H2,1-3H3,(H,19,21).
What are the key properties of 2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide?
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide is sourced from PubChem (CID 60846927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).