N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride

C18H29ClN2O2 — CID 119583522

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)N(C)C(C)CN)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13(2)11-15-5-7-16(8-6-15)17(21)9-10-18(22)20(4)14(3)12-19;/h5-8,13-14H,9-12,19H2,1-4H3;1H
InChIKeyKQSGYSPQUTXPNS-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.08
Rot. Bonds8

About N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride (PubChem CID 119583522) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
PubChem CID119583522
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)N(C)C(C)CN)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13(2)11-15-5-7-16(8-6-15)17(21)9-10-18(22)20(4)14(3)12-19;/h5-8,13-14H,9-12,19H2,1-4H3;1H
InChIKeyKQSGYSPQUTXPNS-UHFFFAOYSA-N
XLogP3.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119583475
N-(2-aminoethyl)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119384014
1-[4-(2-methylpropyl)phenyl]-3-sulfanylpropan-1-one
CID 94684203
1-[4-(2-methylpropyl)phenyl]decan-1-one
CID 65449495
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119582548
N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
CID 119584493
4-[4-[2-[acetyl(methyl)amino]propyl]phenyl]-4-oxobutanoic acid
CID 12850263
N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide
CID 119582075
N-(1-aminopropan-2-yl)-N-methyl-3-naphthalen-2-ylpropanamide;hydrochloride
CID 119584639
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride
CID 119582126

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride (CID 119583522) is N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride is CC(C)Cc1ccc(C(=O)CCC(=O)N(C)C(C)CN)cc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride?
The InChIKey is KQSGYSPQUTXPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-13(2)11-15-5-7-16(8-6-15)17(21)9-10-18(22)20(4)14(3)12-19;/h5-8,13-14H,9-12,19H2,1-4H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119583522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).