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

C21H25N3O2 — CID 119299327

IUPACN-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
SMILESNC(C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c22-19(16-8-2-1-3-9-16)21(26)23-14-15-7-6-12-18(13-15)24-20(25)17-10-4-5-11-17/h1-3,6-9,12-13,17,19H,4-5,10-11,14,22H2,(H,23,26)(H,24,25)
InChIKeyPFGDSNJCWAOUNY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.13
Rot. Bonds6

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

N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 119299327) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
PubChem CID119299327
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
SMILESNC(C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c22-19(16-8-2-1-3-9-16)21(26)23-14-15-7-6-12-18(13-15)24-20(25)17-10-4-5-11-17/h1-3,6-9,12-13,17,19H,4-5,10-11,14,22H2,(H,23,26)(H,24,25)
InChIKeyPFGDSNJCWAOUNY-UHFFFAOYSA-N
XLogP3.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 119950296
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide
CID 119299331
N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119741621
N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
CID 120985544
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide (CID 119299327) is N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide is NC(C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is PFGDSNJCWAOUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-19(16-8-2-1-3-9-16)21(26)23-14-15-7-6-12-18(13-15)24-20(25)17-10-4-5-11-17/h1-3,6-9,12-13,17,19H,4-5,10-11,14,22H2,(H,23,26)(H,24,25).
What are the key properties of N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 119299327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).