N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide

C20H24N4O3 — CID 55814774

IUPACN-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-4-21-18(25)14-8-10-16(11-9-14)23-19(26)15-6-5-7-17(12-15)24-20(27)22-13(2)3/h5-13H,4H2,1-3H3,(H,21,25)(H,23,26)(H2,22,24,27)
InChIKeyLHLMJZJRGLRRGE-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.22
Rot. Bonds6

About N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide

N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55814774) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55814774
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-4-21-18(25)14-8-10-16(11-9-14)23-19(26)15-6-5-7-17(12-15)24-20(27)22-13(2)3/h5-13H,4H2,1-3H3,(H,21,25)(H,23,26)(H2,22,24,27)
InChIKeyLHLMJZJRGLRRGE-UHFFFAOYSA-N
XLogP3.22
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide
CID 95239252
4-benzamido-N-ethylbenzamide
CID 17153265
3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide
CID 55830520
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 55814774) is N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide is CCNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cc1.
What is the InChIKey of N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is LHLMJZJRGLRRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-21-18(25)14-8-10-16(11-9-14)23-19(26)15-6-5-7-17(12-15)24-20(27)22-13(2)3/h5-13H,4H2,1-3H3,(H,21,25)(H,23,26)(H2,22,24,27).
What are the key properties of N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 368.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55814774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).