(3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide

C21H24N2O3 — CID 32758241

IUPAC(3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)N[C@H](CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3/c1-14-7-9-16(10-8-14)19(22-15(2)24)13-21(25)23-18-11-12-26-20-6-4-3-5-17(18)20/h3-10,18-19H,11-13H2,1-2H3,(H,22,24)(H,23,25)/t18-,19-/m1/s1
InChIKeyWYYIKUWKGDXQFH-RTBURBONSA-N
MW352.43 g/mol
LogP3.20
Rot. Bonds5

About (3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide

(3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide (PubChem CID 32758241) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide
PubChem CID32758241
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)N[C@H](CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3/c1-14-7-9-16(10-8-14)19(22-15(2)24)13-21(25)23-18-11-12-26-20-6-4-3-5-17(18)20/h3-10,18-19H,11-13H2,1-2H3,(H,22,24)(H,23,25)/t18-,19-/m1/s1
InChIKeyWYYIKUWKGDXQFH-RTBURBONSA-N
XLogP3.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-chromen-4-ylamino)-2-(4-methylphenyl)-4-oxobutanoic acid
CID 139019730
2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 18115199
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
(3R)-3-acetamido-N-[(1R)-1-cyclopropylethyl]-3-(4-methylphenyl)propanamide
CID 30796495
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 51195347
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
CID 51312955
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide
CID 86893526
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(2,2-dimethyl-1-phenylpropyl)amino]acetamide
CID 86829469
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of (3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide (CID 32758241) is (3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for (3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for (3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide is CC(=O)N[C@H](CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(C)cc1.
What is the InChIKey of (3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is WYYIKUWKGDXQFH-RTBURBONSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-7-9-16(10-8-14)19(22-15(2)24)13-21(25)23-18-11-12-26-20-6-4-3-5-17(18)20/h3-10,18-19H,11-13H2,1-2H3,(H,22,24)(H,23,25)/t18-,19-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide?
(3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 32758241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).