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

C18H31ClN2O2 — CID 119815236

IUPAC2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(C)c1ccc(OCC(C)C)cc1.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-6-13(4)17(19)18(21)20-14(5)15-7-9-16(10-8-15)22-11-12(2)3;/h7-10,12-14,17H,6,11,19H2,1-5H3,(H,20,21);1H
InChIKeyFZQRTOFMAIJNCP-UHFFFAOYSA-N
MW342.91 g/mol
LogP3.69
Rot. Bonds8

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

2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride (PubChem CID 119815236) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
PubChem CID119815236
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC Name2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(C)c1ccc(OCC(C)C)cc1.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-6-13(4)17(19)18(21)20-14(5)15-7-9-16(10-8-15)22-11-12(2)3;/h7-10,12-14,17H,6,11,19H2,1-5H3,(H,20,21);1H
InChIKeyFZQRTOFMAIJNCP-UHFFFAOYSA-N
XLogP3.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
CID 119721981
4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 120563845
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride (CID 119815236) is 2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)NC(C)c1ccc(OCC(C)C)cc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride?
The InChIKey is FZQRTOFMAIJNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2.ClH/c1-6-13(4)17(19)18(21)20-14(5)15-7-9-16(10-8-15)22-11-12(2)3;/h7-10,12-14,17H,6,11,19H2,1-5H3,(H,20,21);1H.
What are the key properties of 2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119815236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).