N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide

C18H27N3O2 — CID 119299331

IUPACN-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide
SMILESCCCC(N)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-2-6-16(19)18(23)20-12-13-7-5-10-15(11-13)21-17(22)14-8-3-4-9-14/h5,7,10-11,14,16H,2-4,6,8-9,12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyIVZSUEBEOJOZKI-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.56
Rot. Bonds7

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

N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide (PubChem CID 119299331) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide
PubChem CID119299331
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide
SMILESCCCC(N)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C18H27N3O2/c1-2-6-16(19)18(23)20-12-13-7-5-10-15(11-13)21-17(22)14-8-3-4-9-14/h5,7,10-11,14,16H,2-4,6,8-9,12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyIVZSUEBEOJOZKI-UHFFFAOYSA-N
XLogP2.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.56
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-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119741621
N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
CID 120985544
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 119950296
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide (CID 119299331) is N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide is CCCC(N)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1.
What is the InChIKey of N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is IVZSUEBEOJOZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-6-16(19)18(23)20-12-13-7-5-10-15(11-13)21-17(22)14-8-3-4-9-14/h5,7,10-11,14,16H,2-4,6,8-9,12,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide?
N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 119299331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).