2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide

C21H28N4O2 — CID 86988845

IUPAC2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)Nc2ccccc2CC(N)=O)cc1
InChIInChI=1S/C21H28N4O2/c1-3-25(4-2)15-17-11-9-16(10-12-17)14-23-21(27)24-19-8-6-5-7-18(19)13-20(22)26/h5-12H,3-4,13-15H2,1-2H3,(H2,22,26)(H2,23,24,27)
InChIKeyBSQAEVORZJIZRE-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.88
Rot. Bonds9

About 2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide

2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide (PubChem CID 86988845) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
PubChem CID86988845
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)Nc2ccccc2CC(N)=O)cc1
InChIInChI=1S/C21H28N4O2/c1-3-25(4-2)15-17-11-9-16(10-12-17)14-23-21(27)24-19-8-6-5-7-18(19)13-20(22)26/h5-12H,3-4,13-15H2,1-2H3,(H2,22,26)(H2,23,24,27)
InChIKeyBSQAEVORZJIZRE-UHFFFAOYSA-N
XLogP2.88
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
2-[2-(furan-3-ylmethylcarbamoylamino)phenyl]acetamide
CID 47039420
N-[[4-(diethylaminomethyl)phenyl]methyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86996652
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 75865074
N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 51080425
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 47033746
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
3-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]-N-ethyl-4-methylbenzamide
CID 86993613
1-(2-ethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3667887
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 8948128

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of 2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide (CID 86988845) is 2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for 2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide is CCN(CC)Cc1ccc(CNC(=O)Nc2ccccc2CC(N)=O)cc1.
What is the InChIKey of 2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide?
The InChIKey is BSQAEVORZJIZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-25(4-2)15-17-11-9-16(10-12-17)14-23-21(27)24-19-8-6-5-7-18(19)13-20(22)26/h5-12H,3-4,13-15H2,1-2H3,(H2,22,26)(H2,23,24,27).
What are the key properties of 2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide?
2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.88, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 86988845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).