4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride

C18H31ClN4O2 — CID 119501003

IUPAC4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
SMILESCNCCNC(=O)C(CC(C)C)NC(=O)NCc1ccc(C)cc1.Cl
InChIInChI=1S/C18H30N4O2.ClH/c1-13(2)11-16(17(23)20-10-9-19-4)22-18(24)21-12-15-7-5-14(3)6-8-15;/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,23)(H2,21,22,24);1H
InChIKeyHVKIMHHZBWCXFR-UHFFFAOYSA-N
MW370.93 g/mol
LogP1.97
Rot. Bonds9

About 4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride

4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride (PubChem CID 119501003) has the molecular formula C18H31ClN4O2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
PubChem CID119501003
Molecular FormulaC18H31ClN4O2
Molecular Weight370.93 g/mol
Exact Mass370.21
IUPAC Name4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
SMILESCNCCNC(=O)C(CC(C)C)NC(=O)NCc1ccc(C)cc1.Cl
InChIInChI=1S/C18H30N4O2.ClH/c1-13(2)11-16(17(23)20-10-9-19-4)22-18(24)21-12-15-7-5-14(3)6-8-15;/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,23)(H2,21,22,24);1H
InChIKeyHVKIMHHZBWCXFR-UHFFFAOYSA-N
XLogP1.97
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119450650
N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide
CID 46585355
N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119601704
1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-methyl-1-oxopentan-2-yl]-3-[(4-methylphenyl)methyl]urea;hydrochloride
CID 120657725
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 3676816
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731
2-(benzylcarbamoylamino)-3-methyl-N-[2-(methylamino)ethyl]butanamide
CID 119502329
3-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 61189759
(2R)-2-[(4-cyanophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 78987435
methyl (2S)-4-methyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]pentanoate
CID 2005630
1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880583

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride?
The IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride (CID 119501003) is 4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride?
The canonical SMILES for 4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride is CNCCNC(=O)C(CC(C)C)NC(=O)NCc1ccc(C)cc1.Cl.
What is the InChIKey of 4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride?
The InChIKey is HVKIMHHZBWCXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2.ClH/c1-13(2)11-16(17(23)20-10-9-19-4)22-18(24)21-12-15-7-5-14(3)6-8-15;/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,23)(H2,21,22,24);1H.
What are the key properties of 4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride?
4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride has a molecular weight of 370.93 g/mol, XLogP of 1.97, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride is sourced from PubChem (CID 119501003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).