2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride

C17H29ClN2O — CID 119267840

IUPAC2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
SMILESCC(C)Cc1ccc(C(C)NC(=O)C(N)C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-11(2)10-14-6-8-15(9-7-14)13(5)19-17(20)16(18)12(3)4;/h6-9,11-13,16H,10,18H2,1-5H3,(H,19,20);1H
InChIKeyTXECYDNUFAKVPQ-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.47
Rot. Bonds6

About 2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride

2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride (PubChem CID 119267840) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
PubChem CID119267840
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
SMILESCC(C)Cc1ccc(C(C)NC(=O)C(N)C(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-11(2)10-14-6-8-15(9-7-14)13(5)19-17(20)16(18)12(3)4;/h6-9,11-13,16H,10,18H2,1-5H3,(H,19,20);1H
InChIKeyTXECYDNUFAKVPQ-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267839
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide
CID 60848149
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
(2S)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3-methylbutanamide
CID 61155319
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
N-[1-[4-[(2R)-2-aminopropyl]phenyl]ethyl]-2,2-bis(sulfanyl)acetamide
CID 57298459
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
CID 43695581

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride (CID 119267840) is 2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride is CC(C)Cc1ccc(C(C)NC(=O)C(N)C(C)C)cc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride?
The InChIKey is TXECYDNUFAKVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-11(2)10-14-6-8-15(9-7-14)13(5)19-17(20)16(18)12(3)4;/h6-9,11-13,16H,10,18H2,1-5H3,(H,19,20);1H.
What are the key properties of 2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride?
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119267840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).