2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide

C14H19N3O2 — CID 79395029

IUPAC2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
SMILESNC(=O)c1ccccc1CNCCC(=O)NC1CC1
InChIInChI=1S/C14H19N3O2/c15-14(19)12-4-2-1-3-10(12)9-16-8-7-13(18)17-11-5-6-11/h1-4,11,16H,5-9H2,(H2,15,19)(H,17,18)
InChIKeyPJKJLJZKCALLRV-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.54
Rot. Bonds7

About 2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide

2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide (PubChem CID 79395029) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
PubChem CID79395029
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
SMILESNC(=O)c1ccccc1CNCCC(=O)NC1CC1
InChIInChI=1S/C14H19N3O2/c15-14(19)12-4-2-1-3-10(12)9-16-8-7-13(18)17-11-5-6-11/h1-4,11,16H,5-9H2,(H2,15,19)(H,17,18)
InChIKeyPJKJLJZKCALLRV-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 78977855
2-[(cyclohexylmethylamino)methyl]benzamide
CID 43371551
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
CID 62627188
2-[2-[[4-(5,6-dihydro-4H-pyrimidin-1-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 173174563
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide
CID 112731367
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
2-[(6-hydroxyhexylamino)methyl]benzamide
CID 114009117
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
CID 55097569
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide?
The IUPAC name of 2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide (CID 79395029) is 2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide?
The canonical SMILES for 2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide is NC(=O)c1ccccc1CNCCC(=O)NC1CC1.
What is the InChIKey of 2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide?
The InChIKey is PJKJLJZKCALLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14(19)12-4-2-1-3-10(12)9-16-8-7-13(18)17-11-5-6-11/h1-4,11,16H,5-9H2,(H2,15,19)(H,17,18).
What are the key properties of 2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide?
2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide has a molecular weight of 261.32 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide is sourced from PubChem (CID 79395029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).