2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride

C22H31ClN2O3 — CID 119721271

IUPAC2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1ccc(OCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C22H30N2O3.ClH/c1-5-13-22(3,23)21(25)24-16(2)18-11-12-19(20(14-18)26-4)27-15-17-9-7-6-8-10-17;/h6-12,14,16H,5,13,15,23H2,1-4H3,(H,24,25);1H
InChIKeyCDLVWQBNDNQTPT-UHFFFAOYSA-N
MW406.95 g/mol
LogP4.39
Rot. Bonds9

About 2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride

2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride (PubChem CID 119721271) has the molecular formula C22H31ClN2O3 and a molecular weight of 406.95 g/mol. Its IUPAC name is 2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
PubChem CID119721271
Molecular FormulaC22H31ClN2O3
Molecular Weight406.95 g/mol
Exact Mass406.20
IUPAC Name2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1ccc(OCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C22H30N2O3.ClH/c1-5-13-22(3,23)21(25)24-16(2)18-11-12-19(20(14-18)26-4)27-15-17-9-7-6-8-10-17;/h6-12,14,16H,5,13,15,23H2,1-4H3,(H,24,25);1H
InChIKeyCDLVWQBNDNQTPT-UHFFFAOYSA-N
XLogP4.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.95
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
CID 120986679
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide
CID 79805617
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119721259
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288240
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47063290
3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 47067149
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
CID 60847704
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852194
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride (CID 119721271) is 2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NC(C)c1ccc(OCc2ccccc2)c(OC)c1.Cl.
What is the InChIKey of 2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride?
The InChIKey is CDLVWQBNDNQTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3.ClH/c1-5-13-22(3,23)21(25)24-16(2)18-11-12-19(20(14-18)26-4)27-15-17-9-7-6-8-10-17;/h6-12,14,16H,5,13,15,23H2,1-4H3,(H,24,25);1H.
What are the key properties of 2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride has a molecular weight of 406.95 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119721271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).