4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide

C21H24N4O3 — CID 55834926

IUPAC4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)NC(C)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C21H24N4O3/c1-4-12-22-20(27)16-8-10-18(11-9-16)25-21(28)23-14(2)17-6-5-7-19(13-17)24-15(3)26/h4-11,13-14H,1,12H2,2-3H3,(H,22,27)(H,24,26)(H2,23,25,28)
InChIKeyJGEWEPQOJWUIKP-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.44
Rot. Bonds7

About 4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide

4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide (PubChem CID 55834926) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide
PubChem CID55834926
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)NC(C)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C21H24N4O3/c1-4-12-22-20(27)16-8-10-18(11-9-16)25-21(28)23-14(2)17-6-5-7-19(13-17)24-15(3)26/h4-11,13-14H,1,12H2,2-3H3,(H,22,27)(H,24,26)(H2,23,25,28)
InChIKeyJGEWEPQOJWUIKP-UHFFFAOYSA-N
XLogP3.44
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
CID 51944566
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 55696566
4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide
CID 52667442
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide
CID 46468132
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 46598585
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide (CID 55834926) is 4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC(=O)NC(C)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of 4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide?
The InChIKey is JGEWEPQOJWUIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-12-22-20(27)16-8-10-18(11-9-16)25-21(28)23-14(2)17-6-5-7-19(13-17)24-15(3)26/h4-11,13-14H,1,12H2,2-3H3,(H,22,27)(H,24,26)(H2,23,25,28).
What are the key properties of 4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide?
4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 55834926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).