(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide

C27H25NO3 — CID 54789941

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3cccc(OCc4ccccc4)c3)ccc2c1
InChIInChI=1S/C27H25NO3/c1-19(21-11-12-23-16-25(30-2)14-13-22(23)15-21)27(29)28-24-9-6-10-26(17-24)31-18-20-7-4-3-5-8-20/h3-17,19H,18H2,1-2H3,(H,28,29)/t19-/m0/s1
InChIKeyBJFAZVLAZRCJHL-IBGZPJMESA-N
MW411.50 g/mol
LogP6.17
Rot. Bonds7

About (2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide

(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide (PubChem CID 54789941) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
PubChem CID54789941
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3cccc(OCc4ccccc4)c3)ccc2c1
InChIInChI=1S/C27H25NO3/c1-19(21-11-12-23-16-25(30-2)14-13-22(23)15-21)27(29)28-24-9-6-10-26(17-24)31-18-20-7-4-3-5-8-20/h3-17,19H,18H2,1-2H3,(H,28,29)/t19-/m0/s1
InChIKeyBJFAZVLAZRCJHL-IBGZPJMESA-N
XLogP6.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 54790263
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54790136
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
2-(3-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 19203878
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 47066845
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
[carbamoyl-[1-(4-phenylmethoxyphenyl)ethyl]amino] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54446740
ethyl-di(propan-2-yl)azanium;3-[2-(6-methoxynaphthalen-2-yl)propanoylamino]benzenesulfonate
CID 155294994
(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-(3-phenylmethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide (CID 54789941) is (2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide is COc1ccc2cc([C@H](C)C(=O)Nc3cccc(OCc4ccccc4)c3)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide?
The InChIKey is BJFAZVLAZRCJHL-IBGZPJMESA-N. The full InChI is InChI=1S/C27H25NO3/c1-19(21-11-12-23-16-25(30-2)14-13-22(23)15-21)27(29)28-24-9-6-10-26(17-24)31-18-20-7-4-3-5-8-20/h3-17,19H,18H2,1-2H3,(H,28,29)/t19-/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide?
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide has a molecular weight of 411.50 g/mol, XLogP of 6.17, 7 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-(3-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 54789941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).