2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide

C17H20N4O4 — CID 39184918

IUPAC2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide
SMILESCOc1cc(NC(=O)CN)c(NC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C17H20N4O4/c1-24-14-8-12(20-16(22)10-18)13(9-15(14)25-2)21-17(23)19-11-6-4-3-5-7-11/h3-9H,10,18H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyNKMDSCHHNSRWQF-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.24
Rot. Bonds6

About 2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide

2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 39184918) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID39184918
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide
SMILESCOc1cc(NC(=O)CN)c(NC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C17H20N4O4/c1-24-14-8-12(20-16(22)10-18)13(9-15(14)25-2)21-17(23)19-11-6-4-3-5-7-11/h3-9H,10,18H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyNKMDSCHHNSRWQF-UHFFFAOYSA-N
XLogP2.24
TPSA114.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,5-dimethoxy-2-nitrophenyl)-3-phenylurea
CID 110446745
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
1-(5-hydroxy-2,4-dimethoxyphenyl)-3-phenylurea
CID 22099500
1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea
CID 107467314
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
CID 39184898
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide
CID 39184908
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
CID 119265007
N-(4,5-dimethoxy-2-methylphenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17443206
N-[5-methoxy-2-methyl-4-(phenylcarbamoylamino)phenyl]benzamide
CID 3546373
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea
CID 110774594

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide (CID 39184918) is 2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide is COc1cc(NC(=O)CN)c(NC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is NKMDSCHHNSRWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-24-14-8-12(20-16(22)10-18)13(9-15(14)25-2)21-17(23)19-11-6-4-3-5-7-11/h3-9H,10,18H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide?
2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 344.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 39184918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).