2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide

C20H25N3O4 — CID 55819269

IUPAC2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NC(=O)N(CCO)Cc1ccccc1OC
InChIInChI=1S/C20H25N3O4/c1-21-19(25)13-15-7-3-5-9-17(15)22-20(26)23(11-12-24)14-16-8-4-6-10-18(16)27-2/h3-10,24H,11-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyCVTUKMGDSHJORA-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.01
Rot. Bonds8

About 2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide

2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide (PubChem CID 55819269) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
PubChem CID55819269
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NC(=O)N(CCO)Cc1ccccc1OC
InChIInChI=1S/C20H25N3O4/c1-21-19(25)13-15-7-3-5-9-17(15)22-20(26)23(11-12-24)14-16-8-4-6-10-18(16)27-2/h3-10,24H,11-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyCVTUKMGDSHJORA-UHFFFAOYSA-N
XLogP2.01
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
CID 110901111
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 55819798
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
CID 47764929
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
1-benzyl-1-(2-hydroxyethyl)-3-(2-propylphenyl)urea
CID 110896766
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79279066
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 87009738
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78960889

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide (CID 55819269) is 2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NC(=O)N(CCO)Cc1ccccc1OC.
What is the InChIKey of 2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide?
The InChIKey is CVTUKMGDSHJORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-21-19(25)13-15-7-3-5-9-17(15)22-20(26)23(11-12-24)14-16-8-4-6-10-18(16)27-2/h3-10,24H,11-14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide?
2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide has a molecular weight of 371.44 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 55819269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).