4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride

C17H29ClN2O — CID 119272369

IUPAC4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
SMILESCC(C)c1ccc(C(NC(=O)CCCN)C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-12(2)14-7-9-15(10-8-14)17(13(3)4)19-16(20)6-5-11-18;/h7-10,12-13,17H,5-6,11,18H2,1-4H3,(H,19,20);1H
InChIKeyXGKGUBMINFGQBF-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.78
Rot. Bonds7

About 4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride

4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride (PubChem CID 119272369) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
PubChem CID119272369
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
SMILESCC(C)c1ccc(C(NC(=O)CCCN)C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-12(2)14-7-9-15(10-8-14)17(13(3)4)19-16(20)6-5-11-18;/h7-10,12-13,17H,5-6,11,18H2,1-4H3,(H,19,20);1H
InChIKeyXGKGUBMINFGQBF-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 63307815
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
CID 60559744
2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272761
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride (CID 119272369) is 4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride is CC(C)c1ccc(C(NC(=O)CCCN)C(C)C)cc1.Cl.
What is the InChIKey of 4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride?
The InChIKey is XGKGUBMINFGQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-12(2)14-7-9-15(10-8-14)17(13(3)4)19-16(20)6-5-11-18;/h7-10,12-13,17H,5-6,11,18H2,1-4H3,(H,19,20);1H.
What are the key properties of 4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride?
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119272369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).