(3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide

C23H23NO3 — CID 101399644

IUPAC(3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide
SMILESCOc1ccc(C(=O)[C@H](CC(=O)N(C)C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H23NO3/c1-24(2)22(25)15-21(23(26)17-10-12-20(27-3)13-11-17)19-9-8-16-6-4-5-7-18(16)14-19/h4-14,21H,15H2,1-3H3/t21-/m1/s1
InChIKeyPKBGYEWETGAQPF-OAQYLSRUSA-N
MW361.44 g/mol
LogP4.29
Rot. Bonds6

About (3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide

(3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide (PubChem CID 101399644) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound Name(3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide
PubChem CID101399644
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide
SMILESCOc1ccc(C(=O)[C@H](CC(=O)N(C)C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H23NO3/c1-24(2)22(25)15-21(23(26)17-10-12-20(27-3)13-11-17)19-9-8-16-6-4-5-7-18(16)14-19/h4-14,21H,15H2,1-3H3/t21-/m1/s1
InChIKeyPKBGYEWETGAQPF-OAQYLSRUSA-N
XLogP4.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-(4-methoxyphenyl)-N,N,3-trimethyl-4-oxobutanamide
CID 101399645
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
methyl (2R)-2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 177394965
methyl 2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 102072351
2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol
CID 100944960
2-[2-methoxyethyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 61427604
(2S)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-phenylbutan-1-one
CID 129404550
2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
CID 62037090
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of (3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide (CID 101399644) is (3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for (3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for (3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide is COc1ccc(C(=O)[C@H](CC(=O)N(C)C)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is PKBGYEWETGAQPF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23NO3/c1-24(2)22(25)15-21(23(26)17-10-12-20(27-3)13-11-17)19-9-8-16-6-4-5-7-18(16)14-19/h4-14,21H,15H2,1-3H3/t21-/m1/s1.
What are the key properties of (3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide?
(3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 361.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 101399644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).