(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide

C24H27N3O3 — CID 9027057

IUPAC(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C24H27N3O3/c1-4-27(16-23(28)25-20-11-13-22(30-3)14-12-20)17(2)24(29)26-21-10-9-18-7-5-6-8-19(18)15-21/h5-15,17H,4,16H2,1-3H3,(H,25,28)(H,26,29)/t17-/m1/s1
InChIKeyZHIVJEFETZYADB-QGZVFWFLSA-N
MW405.50 g/mol
LogP4.14
Rot. Bonds8

About (2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide

(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide (PubChem CID 9027057) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
PubChem CID9027057
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C24H27N3O3/c1-4-27(16-23(28)25-20-11-13-22(30-3)14-12-20)17(2)24(29)26-21-10-9-18-7-5-6-8-19(18)15-21/h5-15,17H,4,16H2,1-3H3,(H,25,28)(H,26,29)/t17-/m1/s1
InChIKeyZHIVJEFETZYADB-QGZVFWFLSA-N
XLogP4.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18094701
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 18094706
N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 16555013
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 2572986
3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326722
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 40746002
3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699212
N-(2,4-dichlorophenyl)-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769404

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide (CID 9027057) is (2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide is CCN(CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide?
The InChIKey is ZHIVJEFETZYADB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-27(16-23(28)25-20-11-13-22(30-3)14-12-20)17(2)24(29)26-21-10-9-18-7-5-6-8-19(18)15-21/h5-15,17H,4,16H2,1-3H3,(H,25,28)(H,26,29)/t17-/m1/s1.
What are the key properties of (2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide?
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide has a molecular weight of 405.50 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 9027057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).