N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide

C18H21N3O2 — CID 108884258

IUPACN-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCc2ccc(C)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-13-6-8-15(9-7-13)10-11-19-18(23)21-17-5-3-4-16(12-17)20-14(2)22/h3-9,12H,10-11H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyBKUCKUUJUOCQTB-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.32
Rot. Bonds5

About N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide

N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide (PubChem CID 108884258) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
PubChem CID108884258
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCc2ccc(C)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-13-6-8-15(9-7-13)10-11-19-18(23)21-17-5-3-4-16(12-17)20-14(2)22/h3-9,12H,10-11H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyBKUCKUUJUOCQTB-UHFFFAOYSA-N
XLogP3.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108895647
N-[3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoylamino]phenyl]acetamide
CID 113217399
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108991040
N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide
CID 71848876
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide (CID 108884258) is N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCCc2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide?
The InChIKey is BKUCKUUJUOCQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-6-8-15(9-7-13)10-11-19-18(23)21-17-5-3-4-16(12-17)20-14(2)22/h3-9,12H,10-11H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide?
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108884258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).