2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride

C17H29ClN2O — CID 119781866

IUPAC2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCCc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-13(2)16-9-7-15(8-10-16)6-5-11-19-17(20)14(3)12-18-4;/h7-10,13-14,18H,5-6,11-12H2,1-4H3,(H,19,20);1H
InChIKeyPDNWWQFUSACTAH-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.14
Rot. Bonds8

About 2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride (PubChem CID 119781866) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
PubChem CID119781866
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCCc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-13(2)16-9-7-15(8-10-16)6-5-11-19-17(20)14(3)12-18-4;/h7-10,13-14,18H,5-6,11-12H2,1-4H3,(H,19,20);1H
InChIKeyPDNWWQFUSACTAH-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119760944
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
(2S)-2-amino-4-methylsulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119322592
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 99999958
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 131930368
N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
CID 131951887
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride (CID 119781866) is 2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride is CNCC(C)C(=O)NCCCc1ccc(C(C)C)cc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
The InChIKey is PDNWWQFUSACTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-13(2)16-9-7-15(8-10-16)6-5-11-19-17(20)14(3)12-18-4;/h7-10,13-14,18H,5-6,11-12H2,1-4H3,(H,19,20);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119781866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).