2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide

C17H26N2O — CID 82767340

IUPAC2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1(C)CCCC1N
InChIInChI=1S/C17H26N2O/c1-13(10-11-14-7-4-3-5-8-14)19-16(20)17(2)12-6-9-15(17)18/h3-5,7-8,13,15H,6,9-12,18H2,1-2H3,(H,19,20)
InChIKeyYRIQCHNXMMFENA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds5

About 2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide

2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide (PubChem CID 82767340) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
PubChem CID82767340
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1(C)CCCC1N
InChIInChI=1S/C17H26N2O/c1-13(10-11-14-7-4-3-5-8-14)19-16(20)17(2)12-6-9-15(17)18/h3-5,7-8,13,15H,6,9-12,18H2,1-2H3,(H,19,20)
InChIKeyYRIQCHNXMMFENA-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82758703
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82759479
2-amino-1-methyl-N-(4-methylpentan-2-yl)cyclopentane-1-carboxamide
CID 82763758
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid
CID 82759376
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide
CID 100789169
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114332102
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide (CID 82767340) is 2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide is CC(CCc1ccccc1)NC(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is YRIQCHNXMMFENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(10-11-14-7-4-3-5-8-14)19-16(20)17(2)12-6-9-15(17)18/h3-5,7-8,13,15H,6,9-12,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide?
2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 82767340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).