4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide

C14H19N3O2 — CID 80588190

IUPAC4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide
SMILESCC1CC(CN)(C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C14H19N3O2/c1-9-6-14(7-9,8-15)13(19)17-11-4-2-10(3-5-11)12(16)18/h2-5,9H,6-8,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyMMVGFTGMEBTPOV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.10
Rot. Bonds4

About 4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide

4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide (PubChem CID 80588190) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide
PubChem CID80588190
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide
SMILESCC1CC(CN)(C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C14H19N3O2/c1-9-6-14(7-9,8-15)13(19)17-11-4-2-10(3-5-11)12(16)18/h2-5,9H,6-8,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyMMVGFTGMEBTPOV-UHFFFAOYSA-N
XLogP1.10
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 80588204
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
CID 64551233
1-(aminomethyl)-3-methyl-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 80588316
4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
CID 26636437
1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 80587423
4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
CID 115441564
N-(4-carbamoylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121565
1-(aminomethyl)-N-(4-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441362
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
(1R,6S)-6-[(4-carbamoylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 2271070

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide?
The IUPAC name of 4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide (CID 80588190) is 4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide.
What is the SMILES notation for 4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide?
The canonical SMILES for 4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide is CC1CC(CN)(C(=O)Nc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide?
The InChIKey is MMVGFTGMEBTPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-6-14(7-9,8-15)13(19)17-11-4-2-10(3-5-11)12(16)18/h2-5,9H,6-8,15H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide?
4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide is sourced from PubChem (CID 80588190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).