(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide

C23H29NO3 — CID 100708242

IUPAC(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21
InChIInChI=1S/C23H29NO3/c1-4-20(26-17-12-8-7-9-13-17)22(25)24-19-16-23(5-2,6-3)27-21-15-11-10-14-18(19)21/h7-15,19-20H,4-6,16H2,1-3H3,(H,24,25)/t19-,20+/m0/s1
InChIKeyAWZOUZVHDPPCMP-VQTJNVASSA-N
MW367.49 g/mol
LogP5.04
Rot. Bonds7

About (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide

(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide (PubChem CID 100708242) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
PubChem CID100708242
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21
InChIInChI=1S/C23H29NO3/c1-4-20(26-17-12-8-7-9-13-17)22(25)24-19-16-23(5-2,6-3)27-21-15-11-10-14-18(19)21/h7-15,19-20H,4-6,16H2,1-3H3,(H,24,25)/t19-,20+/m0/s1
InChIKeyAWZOUZVHDPPCMP-VQTJNVASSA-N
XLogP5.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-tert-butylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]butanamide
CID 100770619
(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(2-fluorophenoxy)butanamide
CID 100528499
2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132656164
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
CID 100694409
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133160355
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100501762
(2S)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 100576805
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 133160411
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
(2R)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(N-methylsulfonylanilino)propanamide
CID 100758794
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide
CID 133202111

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide?
The IUPAC name of (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide (CID 100708242) is (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21.
What is the InChIKey of (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide?
The InChIKey is AWZOUZVHDPPCMP-VQTJNVASSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-20(26-17-12-8-7-9-13-17)22(25)24-19-16-23(5-2,6-3)27-21-15-11-10-14-18(19)21/h7-15,19-20H,4-6,16H2,1-3H3,(H,24,25)/t19-,20+/m0/s1.
What are the key properties of (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide?
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide has a molecular weight of 367.49 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide is sourced from PubChem (CID 100708242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).