3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide

C14H22N4O2 — CID 106916934

IUPAC3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C14H22N4O2/c1-10(13(19)16-2)9-18(3)14(20)17-12-6-4-5-11(7-12)8-15/h4-7,10H,8-9,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyHNFXUMVPHOMCMX-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.99
Rot. Bonds5

About 3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide

3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 106916934) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
PubChem CID106916934
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C14H22N4O2/c1-10(13(19)16-2)9-18(3)14(20)17-12-6-4-5-11(7-12)8-15/h4-7,10H,8-9,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyHNFXUMVPHOMCMX-UHFFFAOYSA-N
XLogP0.99
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569659
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106914482
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
(2S)-3-[(4-bromo-3-methylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569550
3-[3-(aminomethyl)phenyl]-1-(2-ethoxyethyl)-1-methylurea
CID 81056992
3-[3-(aminomethyl)phenyl]-1-(3-methoxypropyl)-1-methylurea
CID 55140706
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea
CID 61342222
N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373924
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide (CID 106916934) is 3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)C(=O)Nc1cccc(CN)c1.
What is the InChIKey of 3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is HNFXUMVPHOMCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(13(19)16-2)9-18(3)14(20)17-12-6-4-5-11(7-12)8-15/h4-7,10H,8-9,15H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide?
3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 278.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106916934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).