4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride

C19H31ClN4O2 — CID 119450650

IUPAC4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride
SMILESCc1ccc(CNC(=O)NC(CC(C)C)C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C19H30N4O2.ClH/c1-13(2)10-17(18(24)22-16-8-9-20-12-16)23-19(25)21-11-15-6-4-14(3)5-7-15;/h4-7,13,16-17,20H,8-12H2,1-3H3,(H,22,24)(H2,21,23,25);1H
InChIKeyABLJTYJKBFULOU-UHFFFAOYSA-N
MW382.94 g/mol
LogP2.11
Rot. Bonds7

About 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride

4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride (PubChem CID 119450650) has the molecular formula C19H31ClN4O2 and a molecular weight of 382.94 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride
PubChem CID119450650
Molecular FormulaC19H31ClN4O2
Molecular Weight382.94 g/mol
Exact Mass382.21
IUPAC Name4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride
SMILESCc1ccc(CNC(=O)NC(CC(C)C)C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C19H30N4O2.ClH/c1-13(2)10-17(18(24)22-16-8-9-20-12-16)23-19(25)21-11-15-6-4-14(3)5-7-15;/h4-7,13,16-17,20H,8-12H2,1-3H3,(H,22,24)(H2,21,23,25);1H
InChIKeyABLJTYJKBFULOU-UHFFFAOYSA-N
XLogP2.11
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[2-(aminomethyl)cyclopentyl]-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119601704
4-methyl-N-[2-(methylamino)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119501003
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 3676816
1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea
CID 86276993
4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453431
2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 82177014
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
CID 119451180
N-methyl-3-[[4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoyl]amino]benzamide
CID 46585355
2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
CID 62710013

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride (CID 119450650) is 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride is Cc1ccc(CNC(=O)NC(CC(C)C)C(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The InChIKey is ABLJTYJKBFULOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.ClH/c1-13(2)10-17(18(24)22-16-8-9-20-12-16)23-19(25)21-11-15-6-4-14(3)5-7-15;/h4-7,13,16-17,20H,8-12H2,1-3H3,(H,22,24)(H2,21,23,25);1H.
What are the key properties of 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride?
4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride has a molecular weight of 382.94 g/mol, XLogP of 2.11, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylpentanamide;hydrochloride is sourced from PubChem (CID 119450650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).