N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C17H30N2O3 — CID 110014490

IUPACN-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCCCCC1CCCC1NC(=O)C(NC(=O)C1CC1)C(C)O
InChIInChI=1S/C17H30N2O3/c1-3-4-6-12-7-5-8-14(12)18-17(22)15(11(2)20)19-16(21)13-9-10-13/h11-15,20H,3-10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyBVSOWEZVFISSLA-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.74
Rot. Bonds8

About N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110014490) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110014490
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCCCCC1CCCC1NC(=O)C(NC(=O)C1CC1)C(C)O
InChIInChI=1S/C17H30N2O3/c1-3-4-6-12-7-5-8-14(12)18-17(22)15(11(2)20)19-16(21)13-9-10-13/h11-15,20H,3-10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyBVSOWEZVFISSLA-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butylcyclopentyl)piperidine-4-carboxamide;hydrochloride
CID 119316653
(2-butylcyclopentyl)carbamic acid
CID 142463044
N-[(2S,3S)-1-[[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 124845421
2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide
CID 95568853
N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide
CID 95244402
3-[(1R,2S)-2-butylcyclopentyl]-1-ethyl-1-methylurea
CID 95338254
(2R)-2-ethoxy-N-[(1R,2R)-2-propylcyclohexyl]propanamide
CID 97027372
(2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide
CID 124743400
N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015893
(2S)-N-[(1R,2S)-2-(2-hydroxyethyl)cyclopentyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 124627495
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 3501377
3-amino-N-(2-ethylcyclopentyl)-2-methylbutanamide;hydrochloride
CID 120502063

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110014490) is N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is CCCCC1CCCC1NC(=O)C(NC(=O)C1CC1)C(C)O.
What is the InChIKey of N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is BVSOWEZVFISSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-4-6-12-7-5-8-14(12)18-17(22)15(11(2)20)19-16(21)13-9-10-13/h11-15,20H,3-10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110014490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).