N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide

C21H23N3O4 — CID 51592551

IUPACN-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc([C@@H](NC(=O)CC[C@@]2(C)NC(=O)NC2=O)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O4/c1-21(19(26)23-20(27)24-21)13-12-17(25)22-18(14-6-4-3-5-7-14)15-8-10-16(28-2)11-9-15/h3-11,18H,12-13H2,1-2H3,(H,22,25)(H2,23,24,26,27)/t18-,21+/m0/s1
InChIKeyCSGDTTSRGVEEPP-GHTZIAJQSA-N
MW381.43 g/mol
LogP2.28
Rot. Bonds7

About N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide

N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 51592551) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID51592551
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc([C@@H](NC(=O)CC[C@@]2(C)NC(=O)NC2=O)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O4/c1-21(19(26)23-20(27)24-21)13-12-17(25)22-18(14-6-4-3-5-7-14)15-8-10-16(28-2)11-9-15/h3-11,18H,12-13H2,1-2H3,(H,22,25)(H2,23,24,26,27)/t18-,21+/m0/s1
InChIKeyCSGDTTSRGVEEPP-GHTZIAJQSA-N
XLogP2.28
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 24648979
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615
4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide
CID 55527015
N-[(4-methoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24641645
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406
N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4117512
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide (CID 51592551) is N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide is COc1ccc([C@@H](NC(=O)CC[C@@]2(C)NC(=O)NC2=O)c2ccccc2)cc1.
What is the InChIKey of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is CSGDTTSRGVEEPP-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-21(19(26)23-20(27)24-21)13-12-17(25)22-18(14-6-4-3-5-7-14)15-8-10-16(28-2)11-9-15/h3-11,18H,12-13H2,1-2H3,(H,22,25)(H2,23,24,26,27)/t18-,21+/m0/s1.
What are the key properties of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 381.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 51592551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).