3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide

C15H23N3O — CID 107397403

IUPAC3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1N)CC1CCC1
InChIInChI=1S/C15H23N3O/c1-2-18(9-11-4-3-5-11)10-13-7-6-12(15(17)19)8-14(13)16/h6-8,11H,2-5,9-10,16H2,1H3,(H2,17,19)
InChIKeyQWHVJMRXEBJWSJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide

3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide (PubChem CID 107397403) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide
PubChem CID107397403
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1N)CC1CCC1
InChIInChI=1S/C15H23N3O/c1-2-18(9-11-4-3-5-11)10-13-7-6-12(15(17)19)8-14(13)16/h6-8,11H,2-5,9-10,16H2,1H3,(H2,17,19)
InChIKeyQWHVJMRXEBJWSJ-UHFFFAOYSA-N
XLogP1.99
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
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-(diethylaminomethyl)benzamide
CID 43375439
3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide
CID 43587416
3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide
CID 63233133
3-amino-4-ethylbenzamide
CID 19977641
7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 107397347
4-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481954
4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 63955917
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
4-[[cyclopropylmethyl(ethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482614
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020
3-amino-4-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 82165856
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide?
The IUPAC name of 3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide (CID 107397403) is 3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide.
What is the SMILES notation for 3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide?
The canonical SMILES for 3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide is CCN(Cc1ccc(C(N)=O)cc1N)CC1CCC1.
What is the InChIKey of 3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide?
The InChIKey is QWHVJMRXEBJWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-18(9-11-4-3-5-11)10-13-7-6-12(15(17)19)8-14(13)16/h6-8,11H,2-5,9-10,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide?
3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide has a molecular weight of 261.37 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-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide is sourced from PubChem (CID 107397403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).