4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide

C15H21N3O2 — CID 115447532

IUPAC4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2(CN)CCC2)cc1
InChIInChI=1S/C15H21N3O2/c1-18(2)13(19)11-4-6-12(7-5-11)17-14(20)15(10-16)8-3-9-15/h4-7H,3,8-10,16H2,1-2H3,(H,17,20)
InChIKeyTYDRYVNIHYAURI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.46
Rot. Bonds4

About 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide

4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide (PubChem CID 115447532) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
PubChem CID115447532
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2(CN)CCC2)cc1
InChIInChI=1S/C15H21N3O2/c1-18(2)13(19)11-4-6-12(7-5-11)17-14(20)15(10-16)8-3-9-15/h4-7H,3,8-10,16H2,1-2H3,(H,17,20)
InChIKeyTYDRYVNIHYAURI-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115452538
4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride
CID 119740942
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide (CID 115447532) is 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)C2(CN)CCC2)cc1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide?
The InChIKey is TYDRYVNIHYAURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(2)13(19)11-4-6-12(7-5-11)17-14(20)15(10-16)8-3-9-15/h4-7H,3,8-10,16H2,1-2H3,(H,17,20).
What are the key properties of 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide?
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 115447532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).