N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride

C14H20ClN3O2 — CID 119710490

IUPACN-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cccc(NC(=O)C2CC2)c1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9(15)7-13(18)16-11-3-2-4-12(8-11)17-14(19)10-5-6-10;/h2-4,8-10H,5-7,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyNYSOFKDATBFLHQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.13
Rot. Bonds5

About N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride

N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119710490) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119710490
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cccc(NC(=O)C2CC2)c1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9(15)7-13(18)16-11-3-2-4-12(8-11)17-14(19)10-5-6-10;/h2-4,8-10H,5-7,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyNYSOFKDATBFLHQ-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
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N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
3-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]butanamide
CID 119870425
N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61250751
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764
3-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]butanamide;hydrochloride
CID 119692147

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride (CID 119710490) is N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride is CC(N)CC(=O)Nc1cccc(NC(=O)C2CC2)c1.Cl.
What is the InChIKey of N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is NYSOFKDATBFLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-9(15)7-13(18)16-11-3-2-4-12(8-11)17-14(19)10-5-6-10;/h2-4,8-10H,5-7,15H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119710490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).