N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride

C17H29ClN4O2 — CID 119585603

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
SMILESCc1ccccc1C(CC(=O)NC(CN)CC(C)C)NC(N)=O.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-11(2)8-13(10-18)20-16(22)9-15(21-17(19)23)14-7-5-4-6-12(14)3;/h4-7,11,13,15H,8-10,18H2,1-3H3,(H,20,22)(H3,19,21,23);1H
InChIKeyWQCRXEZCQVCSKE-UHFFFAOYSA-N
MW356.90 g/mol
LogP2.01
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride (PubChem CID 119585603) has the molecular formula C17H29ClN4O2 and a molecular weight of 356.90 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
PubChem CID119585603
Molecular FormulaC17H29ClN4O2
Molecular Weight356.90 g/mol
Exact Mass356.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
SMILESCc1ccccc1C(CC(=O)NC(CN)CC(C)C)NC(N)=O.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-11(2)8-13(10-18)20-16(22)9-15(21-17(19)23)14-7-5-4-6-12(14)3;/h4-7,11,13,15H,8-10,18H2,1-3H3,(H,20,22)(H3,19,21,23);1H
InChIKeyWQCRXEZCQVCSKE-UHFFFAOYSA-N
XLogP2.01
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
2-[[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]methyl]-4-methylpentanoic acid
CID 122126211
3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 86980661
3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
CID 119323120
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119586311
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26081925
3-(carbamoylamino)-N-[1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 42931334
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119525416
3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide
CID 56547355
methyl (3R)-3-[[(3S)-3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]-3-(4-chlorophenyl)propanoate
CID 37270139

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride (CID 119585603) is N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride is Cc1ccccc1C(CC(=O)NC(CN)CC(C)C)NC(N)=O.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride?
The InChIKey is WQCRXEZCQVCSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.ClH/c1-11(2)8-13(10-18)20-16(22)9-15(21-17(19)23)14-7-5-4-6-12(14)3;/h4-7,11,13,15H,8-10,18H2,1-3H3,(H,20,22)(H3,19,21,23);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 2.01, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119585603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).