4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide

C14H19N3O2 — CID 47129696

IUPAC4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCCNC(=O)C2CC2)cc1
InChIInChI=1S/C14H19N3O2/c15-13(18)11-3-1-10(2-4-11)9-16-7-8-17-14(19)12-5-6-12/h1-4,12,16H,5-9H2,(H2,15,18)(H,17,19)
InChIKeyJFVVHJPWTKNTJU-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.40
Rot. Bonds7

About 4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide

4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide (PubChem CID 47129696) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide
PubChem CID47129696
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCCNC(=O)C2CC2)cc1
InChIInChI=1S/C14H19N3O2/c15-13(18)11-3-1-10(2-4-11)9-16-7-8-17-14(19)12-5-6-12/h1-4,12,16H,5-9H2,(H2,15,18)(H,17,19)
InChIKeyJFVVHJPWTKNTJU-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
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-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115629535
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-[[2-(carbamoylamino)ethylamino]methyl]benzoic acid
CID 83109931
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 47112234
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
4-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 113409672
N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115641192
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 43232715
4-[(pent-3-ynylamino)methyl]benzamide
CID 116642949

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide?
The IUPAC name of 4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide (CID 47129696) is 4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide is NC(=O)c1ccc(CNCCNC(=O)C2CC2)cc1.
What is the InChIKey of 4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide?
The InChIKey is JFVVHJPWTKNTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-13(18)11-3-1-10(2-4-11)9-16-7-8-17-14(19)12-5-6-12/h1-4,12,16H,5-9H2,(H2,15,18)(H,17,19).
What are the key properties of 4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide?
4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide has a molecular weight of 261.32 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide is sourced from PubChem (CID 47129696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).