(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide

C23H23ClN2O3 — CID 8021477

IUPAC(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C23H23ClN2O3/c1-14-7-6-8-15(2)22(14)26-21(27)13-25-23(28)16(3)29-20-12-11-19(24)17-9-4-5-10-18(17)20/h4-12,16H,13H2,1-3H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyPDQBCPMQDSPXDH-INIZCTEOSA-N
MW410.90 g/mol
LogP4.63
Rot. Bonds6

About (2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide

(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide (PubChem CID 8021477) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is (2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
PubChem CID8021477
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C23H23ClN2O3/c1-14-7-6-8-15(2)22(14)26-21(27)13-25-23(28)16(3)29-20-12-11-19(24)17-9-4-5-10-18(17)20/h4-12,16H,13H2,1-3H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyPDQBCPMQDSPXDH-INIZCTEOSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide
CID 51140359
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-cyclopentylpropanamide
CID 8021445
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 84602183
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)sulfanylpropanamide
CID 60561702
(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 40872944
N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide
CID 25362280
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40710619
(2R)-2-(2-chlorophenoxy)-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide
CID 51962961

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide (CID 8021477) is (2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide is Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of (2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide?
The InChIKey is PDQBCPMQDSPXDH-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-14-7-6-8-15(2)22(14)26-21(27)13-25-23(28)16(3)29-20-12-11-19(24)17-9-4-5-10-18(17)20/h4-12,16H,13H2,1-3H3,(H,25,28)(H,26,27)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide?
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide has a molecular weight of 410.90 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 8021477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).