2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide

C19H21N3O2 — CID 119944325

IUPAC2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCC2)c1
InChIInChI=1S/C19H21N3O2/c20-17-10-2-1-9-16(17)19(24)21-12-13-5-3-8-15(11-13)22-18(23)14-6-4-7-14/h1-3,5,8-11,14H,4,6-7,12,20H2,(H,21,24)(H,22,23)
InChIKeyDABGLKHLVPQYOG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.94
Rot. Bonds5

About 2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide

2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide (PubChem CID 119944325) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
PubChem CID119944325
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCC2)c1
InChIInChI=1S/C19H21N3O2/c20-17-10-2-1-9-16(17)19(24)21-12-13-5-3-8-15(11-13)22-18(23)14-6-4-7-14/h1-3,5,8-11,14H,4,6-7,12,20H2,(H,21,24)(H,22,23)
InChIKeyDABGLKHLVPQYOG-UHFFFAOYSA-N
XLogP2.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119945005
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71884647
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924
2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide
CID 17493855
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55893796

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide?
The IUPAC name of 2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide (CID 119944325) is 2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide?
The canonical SMILES for 2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide is Nc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCC2)c1.
What is the InChIKey of 2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide?
The InChIKey is DABGLKHLVPQYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-17-10-2-1-9-16(17)19(24)21-12-13-5-3-8-15(11-13)22-18(23)14-6-4-7-14/h1-3,5,8-11,14H,4,6-7,12,20H2,(H,21,24)(H,22,23).
What are the key properties of 2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide?
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 119944325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).