N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride

C17H29ClN2O2 — CID 119605619

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccc(CCCC(=O)NC(C)(CN)C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-13(2)17(3,12-18)19-16(20)7-5-6-14-8-10-15(21-4)11-9-14;/h8-11,13H,5-7,12,18H2,1-4H3,(H,19,20);1H
InChIKeyRVTBZRXXUVXOJN-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.93
Rot. Bonds8

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride (PubChem CID 119605619) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride
PubChem CID119605619
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccc(CCCC(=O)NC(C)(CN)C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-13(2)17(3,12-18)19-16(20)7-5-6-14-8-10-15(21-4)11-9-14;/h8-11,13H,5-7,12,18H2,1-4H3,(H,19,20);1H
InChIKeyRVTBZRXXUVXOJN-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119607652
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 119608826
4-[4-(4-methoxyphenyl)butanoylamino]-4-methylpentanoic acid
CID 119203801
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119608419
4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
CID 119605954
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
CID 119605778
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119607035
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoic acid
CID 94966651

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride (CID 119605619) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride is COc1ccc(CCCC(=O)NC(C)(CN)C(C)C)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is RVTBZRXXUVXOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-13(2)17(3,12-18)19-16(20)7-5-6-14-8-10-15(21-4)11-9-14;/h8-11,13H,5-7,12,18H2,1-4H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119605619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).