N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide

C17H20N4O2 — CID 108884172

IUPACN-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Nc2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H20N4O2/c1-12(22)18-13-6-4-7-14(10-13)19-17(23)20-15-8-5-9-16(11-15)21(2)3/h4-11H,1-3H3,(H,18,22)(H2,19,20,23)
InChIKeyGFNBRNLRILGXHT-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.36
Rot. Bonds4

About N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide

N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide (PubChem CID 108884172) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
PubChem CID108884172
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Nc2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H20N4O2/c1-12(22)18-13-6-4-7-14(10-13)19-17(23)20-15-8-5-9-16(11-15)21(2)3/h4-11H,1-3H3,(H,18,22)(H2,19,20,23)
InChIKeyGFNBRNLRILGXHT-UHFFFAOYSA-N
XLogP3.36
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
CID 108909610
1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea
CID 108811956
1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
CID 108896576
1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885626
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66935946
1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905529

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide (CID 108884172) is N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)Nc2cccc(N(C)C)c2)c1.
What is the InChIKey of N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is GFNBRNLRILGXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(22)18-13-6-4-7-14(10-13)19-17(23)20-15-8-5-9-16(11-15)21(2)3/h4-11H,1-3H3,(H,18,22)(H2,19,20,23).
What are the key properties of N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide?
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108884172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).