(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide

C28H27NO3 — CID 54790263

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3ccc(OCCc4ccccc4)cc3)ccc2c1
InChIInChI=1S/C28H27NO3/c1-20(22-8-9-24-19-27(31-2)13-10-23(24)18-22)28(30)29-25-11-14-26(15-12-25)32-17-16-21-6-4-3-5-7-21/h3-15,18-20H,16-17H2,1-2H3,(H,29,30)/t20-/m0/s1
InChIKeyTVYYHHMFGMWXQL-FQEVSTJZSA-N
MW425.53 g/mol
LogP6.21
Rot. Bonds8

About (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide (PubChem CID 54790263) has the molecular formula C28H27NO3 and a molecular weight of 425.53 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
PubChem CID54790263
Molecular FormulaC28H27NO3
Molecular Weight425.53 g/mol
Exact Mass425.20
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3ccc(OCCc4ccccc4)cc3)ccc2c1
InChIInChI=1S/C28H27NO3/c1-20(22-8-9-24-19-27(31-2)13-10-23(24)18-22)28(30)29-25-11-14-26(15-12-25)32-17-16-21-6-4-3-5-7-21/h3-15,18-20H,16-17H2,1-2H3,(H,29,30)/t20-/m0/s1
InChIKeyTVYYHHMFGMWXQL-FQEVSTJZSA-N
XLogP6.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 54790083
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42917740
(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55941108
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide
CID 33145427
(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951841

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide (CID 54790263) is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide is COc1ccc2cc([C@H](C)C(=O)Nc3ccc(OCCc4ccccc4)cc3)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide?
The InChIKey is TVYYHHMFGMWXQL-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H27NO3/c1-20(22-8-9-24-19-27(31-2)13-10-23(24)18-22)28(30)29-25-11-14-26(15-12-25)32-17-16-21-6-4-3-5-7-21/h3-15,18-20H,16-17H2,1-2H3,(H,29,30)/t20-/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide?
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide has a molecular weight of 425.53 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide is sourced from PubChem (CID 54790263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).