3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide

C14H21N3O — CID 43588001

IUPAC3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
SMILESCCCN(CC1CC1)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H21N3O/c1-2-7-17(9-10-3-4-10)13-6-5-11(14(16)18)8-12(13)15/h5-6,8,10H,2-4,7,9,15H2,1H3,(H2,16,18)
InChIKeyKZUNVQZHJQGPSS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide

3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide (PubChem CID 43588001) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
PubChem CID43588001
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
SMILESCCCN(CC1CC1)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H21N3O/c1-2-7-17(9-10-3-4-10)13-6-5-11(14(16)18)8-12(13)15/h5-6,8,10H,2-4,7,9,15H2,1H3,(H2,16,18)
InChIKeyKZUNVQZHJQGPSS-UHFFFAOYSA-N
XLogP1.99
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(dibutylamino)benzamide
CID 43448369
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
CID 43588041
1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone
CID 62909830
2-amino-3-[cyclopropylmethyl(propyl)amino]benzamide
CID 113332696
3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
CID 82999772
4-amino-3-[cyclopropyl(propyl)amino]benzamide
CID 55188930
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
CID 62588869
4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899998
2-[cyclopropylmethyl(propyl)amino]-4-methylbenzoic acid
CID 62701337
3-amino-4-[cyclopropylmethyl(propan-2-yl)amino]benzoic acid
CID 55000222
3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide
CID 107397403

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide?
The IUPAC name of 3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide (CID 43588001) is 3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide.
What is the SMILES notation for 3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide?
The canonical SMILES for 3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide is CCCN(CC1CC1)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide?
The InChIKey is KZUNVQZHJQGPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-7-17(9-10-3-4-10)13-6-5-11(14(16)18)8-12(13)15/h5-6,8,10H,2-4,7,9,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide?
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide is sourced from PubChem (CID 43588001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).