(3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide

C26H32N2O3 — CID 59965556

IUPAC(3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide
SMILESCC[C@H](C)C(N)C(=O)NCCc1ccc(OCc2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C26H32N2O3/c1-4-18(2)25(27)26(29)28-15-14-19-12-13-23(24(16-19)30-3)31-17-21-10-7-9-20-8-5-6-11-22(20)21/h5-13,16,18,25H,4,14-15,17,27H2,1-3H3,(H,28,29)/t18-,25?/m0/s1
InChIKeyNVESMZXJFHXOHR-CPFIQGLUSA-N
MW420.55 g/mol
LogP4.46
Rot. Bonds10

About (3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide

(3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide (PubChem CID 59965556) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is (3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide
PubChem CID59965556
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name(3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide
SMILESCC[C@H](C)C(N)C(=O)NCCc1ccc(OCc2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C26H32N2O3/c1-4-18(2)25(27)26(29)28-15-14-19-12-13-23(24(16-19)30-3)31-17-21-10-7-9-20-8-5-6-11-22(20)21/h5-13,16,18,25H,4,14-15,17,27H2,1-3H3,(H,28,29)/t18-,25?/m0/s1
InChIKeyNVESMZXJFHXOHR-CPFIQGLUSA-N
XLogP4.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119690822
2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
CID 119767861
4-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 22680860
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 43908219
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
4-[[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20989299
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 99953693
(2S)-2-amino-N-[2-[4-[3-(4-chlorophenyl)propoxy]-3-methoxyphenyl]ethyl]-3-methylbutanamide
CID 54099212
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114
N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 42704361
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290

Frequently Asked Questions

What is the IUPAC name of (3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide?
The IUPAC name of (3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide (CID 59965556) is (3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide.
What is the SMILES notation for (3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide?
The canonical SMILES for (3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide is CC[C@H](C)C(N)C(=O)NCCc1ccc(OCc2cccc3ccccc23)c(OC)c1.
What is the InChIKey of (3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide?
The InChIKey is NVESMZXJFHXOHR-CPFIQGLUSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-4-18(2)25(27)26(29)28-15-14-19-12-13-23(24(16-19)30-3)31-17-21-10-7-9-20-8-5-6-11-22(20)21/h5-13,16,18,25H,4,14-15,17,27H2,1-3H3,(H,28,29)/t18-,25?/m0/s1.
What are the key properties of (3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide?
(3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide has a molecular weight of 420.55 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide is sourced from PubChem (CID 59965556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).