N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide

C19H29N3O2 — CID 119741621

IUPACN-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
SMILESCCC(C)C(N)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-13(2)17(20)19(24)21-12-14-7-6-10-16(11-14)22-18(23)15-8-4-5-9-15/h6-7,10-11,13,15,17H,3-5,8-9,12,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLFDHVMSWMVXDBQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.80
Rot. Bonds7

About N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide

N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 119741621) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
PubChem CID119741621
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
SMILESCCC(C)C(N)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-13(2)17(20)19(24)21-12-14-7-6-10-16(11-14)22-18(23)15-8-4-5-9-15/h6-7,10-11,13,15,17H,3-5,8-9,12,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLFDHVMSWMVXDBQ-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide
CID 119299331
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
CID 119706304
N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61250751
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
CID 120985544
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[1-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55893275
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide (CID 119741621) is N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide is CCC(C)C(N)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1.
What is the InChIKey of N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is LFDHVMSWMVXDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-13(2)17(20)19(24)21-12-14-7-6-10-16(11-14)22-18(23)15-8-4-5-9-15/h6-7,10-11,13,15,17H,3-5,8-9,12,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 119741621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).