3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride

C15H25ClN4O2 — CID 120832790

IUPAC3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CC(NC(N)=O)c1cccc(C)c1.Cl
InChIInChI=1S/C15H24N4O2.ClH/c1-10-5-4-6-12(7-10)13(19-15(16)21)8-14(20)18-9-11(2)17-3;/h4-7,11,13,17H,8-9H2,1-3H3,(H,18,20)(H3,16,19,21);1H
InChIKeyNUMBIKWVBRPMSZ-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.24
Rot. Bonds7

About 3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride

3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride (PubChem CID 120832790) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
PubChem CID120832790
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC Name3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CC(NC(N)=O)c1cccc(C)c1.Cl
InChIInChI=1S/C15H24N4O2.ClH/c1-10-5-4-6-12(7-10)13(19-15(16)21)8-14(20)18-9-11(2)17-3;/h4-7,11,13,17H,8-9H2,1-3H3,(H,18,20)(H3,16,19,21);1H
InChIKeyNUMBIKWVBRPMSZ-UHFFFAOYSA-N
XLogP1.24
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide
CID 47029153
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832068
propan-2-yl 3-[[3-(carbamoylamino)-3-(3-methylphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 42953375
(3S)-3-(carbamoylamino)-3-(3-methylphenyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 35218612
4-(methylamino)-4-(3-methylphenyl)butan-2-one
CID 116956083
(3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide
CID 95134091
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119525416
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(2S)-2-phenylbutyl]propanamide
CID 39678132
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride (CID 120832790) is 3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride is CNC(C)CNC(=O)CC(NC(N)=O)c1cccc(C)c1.Cl.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride?
The InChIKey is NUMBIKWVBRPMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.ClH/c1-10-5-4-6-12(7-10)13(19-15(16)21)8-14(20)18-9-11(2)17-3;/h4-7,11,13,17H,8-9H2,1-3H3,(H,18,20)(H3,16,19,21);1H.
What are the key properties of 3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride?
3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120832790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).