3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide

C14H19N3O2 — CID 115452538

IUPAC3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2(CN)CC2)c1
InChIInChI=1S/C14H19N3O2/c1-17(2)12(18)10-4-3-5-11(8-10)16-13(19)14(9-15)6-7-14/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,19)
InChIKeyWOMXBEQOUJNMOP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.07
Rot. Bonds4

About 3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide

3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide (PubChem CID 115452538) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
PubChem CID115452538
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2(CN)CC2)c1
InChIInChI=1S/C14H19N3O2/c1-17(2)12(18)10-4-3-5-11(8-10)16-13(19)14(9-15)6-7-14/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,19)
InChIKeyWOMXBEQOUJNMOP-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide
CID 81171958
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003
1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide
CID 80588714
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
CID 115431854
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
3-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]thiolane-3-carboxylic acid
CID 49247310
ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate
CID 56806860
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
CID 79345340

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide (CID 115452538) is 3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)C2(CN)CC2)c1.
What is the InChIKey of 3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide?
The InChIKey is WOMXBEQOUJNMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(2)12(18)10-4-3-5-11(8-10)16-13(19)14(9-15)6-7-14/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,19).
What are the key properties of 3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide?
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 115452538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).