4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide

C20H25N3O5 — CID 55740597

IUPAC4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)NCC(O)c2cc(OC)ccc2OC)c(C)c1
InChIInChI=1S/C20H25N3O5/c1-12-9-13(19(25)21-2)5-7-16(12)23-20(26)22-11-17(24)15-10-14(27-3)6-8-18(15)28-4/h5-10,17,24H,11H2,1-4H3,(H,21,25)(H2,22,23,26)
InChIKeyDYFLLIORQRZLLN-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.23
Rot. Bonds7

About 4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide

4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide (PubChem CID 55740597) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide
PubChem CID55740597
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)NCC(O)c2cc(OC)ccc2OC)c(C)c1
InChIInChI=1S/C20H25N3O5/c1-12-9-13(19(25)21-2)5-7-16(12)23-20(26)22-11-17(24)15-10-14(27-3)6-8-18(15)28-4/h5-10,17,24H,11H2,1-4H3,(H,21,25)(H2,22,23,26)
InChIKeyDYFLLIORQRZLLN-UHFFFAOYSA-N
XLogP2.23
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 51940999
1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 95129214
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 95129792
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55654385
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
CID 110924216
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea
CID 111431598
4-[[2-(3-methoxyphenyl)acetyl]amino]-N,3-dimethylbenzamide
CID 46465025
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide
CID 55852779

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide (CID 55740597) is 4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)NCC(O)c2cc(OC)ccc2OC)c(C)c1.
What is the InChIKey of 4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide?
The InChIKey is DYFLLIORQRZLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-12-9-13(19(25)21-2)5-7-16(12)23-20(26)22-11-17(24)15-10-14(27-3)6-8-18(15)28-4/h5-10,17,24H,11H2,1-4H3,(H,21,25)(H2,22,23,26).
What are the key properties of 4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide?
4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide has a molecular weight of 387.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 55740597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).