N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide

C16H23N3O2 — CID 81083957

IUPACN-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
SMILESCCC(CN)CC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-2-11(10-17)8-15(20)18-13-4-3-5-14(9-13)19-16(21)12-6-7-12/h3-5,9,11-12H,2,6-8,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyOBWCJUCWULNKFB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds7

About N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide

N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 81083957) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID81083957
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
SMILESCCC(CN)CC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-2-11(10-17)8-15(20)18-13-4-3-5-14(9-13)19-16(21)12-6-7-12/h3-5,9,11-12H,2,6-8,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyOBWCJUCWULNKFB-UHFFFAOYSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61250751
3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide
CID 81075705
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 62836488
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide (CID 81083957) is N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide is CCC(CN)CC(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is OBWCJUCWULNKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-11(10-17)8-15(20)18-13-4-3-5-14(9-13)19-16(21)12-6-7-12/h3-5,9,11-12H,2,6-8,10,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide?
N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 81083957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).