N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride

C18H28ClN3O2 — CID 119574022

IUPACN-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NCC(=O)NC(C)(CN)C2CC2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-13-3-5-14(6-4-13)7-10-16(22)20-11-17(23)21-18(2,12-19)15-8-9-15;/h3-6,15H,7-12,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyNGDSQFZRUNNCEO-UHFFFAOYSA-N
MW353.89 g/mol
LogP1.71
Rot. Bonds8

About N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride

N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 119574022) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
PubChem CID119574022
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NCC(=O)NC(C)(CN)C2CC2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-13-3-5-14(6-4-13)7-10-16(22)20-11-17(23)21-18(2,12-19)15-8-9-15;/h3-6,15H,7-12,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyNGDSQFZRUNNCEO-UHFFFAOYSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-5-(4-methylphenyl)pentanamide;hydrochloride
CID 119572987
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride
CID 119573653
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119572402
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenyl)acetamide;hydrochloride
CID 119574165
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119572727
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119574924
4-methyl-4-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]pentanoic acid
CID 119204241
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 119573465
2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
CID 43360529

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride (CID 119574022) is N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride is Cc1ccc(CCC(=O)NCC(=O)NC(C)(CN)C2CC2)cc1.Cl.
What is the InChIKey of N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is NGDSQFZRUNNCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-13-3-5-14(6-4-13)7-10-16(22)20-11-17(23)21-18(2,12-19)15-8-9-15;/h3-6,15H,7-12,19H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119574022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).