4-amino-2-cyclopropyl-N-propylbenzamide

C13H18N2O — CID 170995540

IUPAC4-amino-2-cyclopropyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N)cc1C1CC1
InChIInChI=1S/C13H18N2O/c1-2-7-15-13(16)11-6-5-10(14)8-12(11)9-3-4-9/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyUZJVZFLHURFKLW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.29
Rot. Bonds4

About 4-amino-2-cyclopropyl-N-propylbenzamide

4-amino-2-cyclopropyl-N-propylbenzamide (PubChem CID 170995540) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-amino-2-cyclopropyl-N-propylbenzamide.

Molecular Properties

Compound Name4-amino-2-cyclopropyl-N-propylbenzamide
PubChem CID170995540
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-amino-2-cyclopropyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N)cc1C1CC1
InChIInChI=1S/C13H18N2O/c1-2-7-15-13(16)11-6-5-10(14)8-12(11)9-3-4-9/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyUZJVZFLHURFKLW-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclobutyl-2-cyclopropylbenzamide
CID 170995543
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
3,5-diamino-N-propylbenzamide
CID 20701636
(4-amino-2-cyclopropylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 170995564
2,4-diamino-N-hexylbenzamide
CID 61111728
5-amino-2-(2-ethylanilino)-N-propylbenzamide
CID 100643869
4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
CID 83108050
5-amino-2-morpholin-4-yl-N-propylbenzamide
CID 100651619
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
CID 100639001
4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
CID 165390196
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
(4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 170995559

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopropyl-N-propylbenzamide?
The IUPAC name of 4-amino-2-cyclopropyl-N-propylbenzamide (CID 170995540) is 4-amino-2-cyclopropyl-N-propylbenzamide.
What is the SMILES notation for 4-amino-2-cyclopropyl-N-propylbenzamide?
The canonical SMILES for 4-amino-2-cyclopropyl-N-propylbenzamide is CCCNC(=O)c1ccc(N)cc1C1CC1.
What is the InChIKey of 4-amino-2-cyclopropyl-N-propylbenzamide?
The InChIKey is UZJVZFLHURFKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-7-15-13(16)11-6-5-10(14)8-12(11)9-3-4-9/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-2-cyclopropyl-N-propylbenzamide?
4-amino-2-cyclopropyl-N-propylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopropyl-N-propylbenzamide is sourced from PubChem (CID 170995540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).