N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C21H21N3O4 — CID 51587792

IUPACN-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2cc(=O)n(C)c(=O)n2C)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O4/c1-23-17(13-18(25)24(2)21(23)27)20(26)22-19(14-7-5-4-6-8-14)15-9-11-16(28-3)12-10-15/h4-13,19H,1-3H3,(H,22,26)/t19-/m1/s1
InChIKeyDXUHNSDKUZKWLC-LJQANCHMSA-N
MW379.42 g/mol
LogP1.61
Rot. Bonds5

About N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 51587792) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID51587792
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2cc(=O)n(C)c(=O)n2C)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O4/c1-23-17(13-18(25)24(2)21(23)27)20(26)22-19(14-7-5-4-6-8-14)15-9-11-16(28-3)12-10-15/h4-13,19H,1-3H3,(H,22,26)/t19-/m1/s1
InChIKeyDXUHNSDKUZKWLC-LJQANCHMSA-N
XLogP1.61
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide
CID 51596087
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46483775
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 51587792) is N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is COc1ccc([C@H](NC(=O)c2cc(=O)n(C)c(=O)n2C)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is DXUHNSDKUZKWLC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-23-17(13-18(25)24(2)21(23)27)20(26)22-19(14-7-5-4-6-8-14)15-9-11-16(28-3)12-10-15/h4-13,19H,1-3H3,(H,22,26)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 51587792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).