N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide

C23H30N4O4 — CID 55968925

IUPACN-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1
InChIInChI=1S/C23H30N4O4/c1-4-31-13-7-12-24-21(28)17-8-5-10-19(14-17)26-22(29)18-9-6-11-20(15-18)27-23(30)25-16(2)3/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30)
InChIKeyODAAKOKTIXTUKW-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.63
Rot. Bonds10

About N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide

N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide (PubChem CID 55968925) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
PubChem CID55968925
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1
InChIInChI=1S/C23H30N4O4/c1-4-31-13-7-12-24-21(28)17-8-5-10-19(14-17)26-22(29)18-9-6-11-20(15-18)27-23(30)25-16(2)3/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30)
InChIKeyODAAKOKTIXTUKW-UHFFFAOYSA-N
XLogP3.63
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627
3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide
CID 55924139
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide
CID 166187815

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide (CID 55968925) is N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide is CCOCCCNC(=O)c1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide?
The InChIKey is ODAAKOKTIXTUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-4-31-13-7-12-24-21(28)17-8-5-10-19(14-17)26-22(29)18-9-6-11-20(15-18)27-23(30)25-16(2)3/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30).
What are the key properties of N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide?
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide has a molecular weight of 426.52 g/mol, XLogP of 3.63, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide is sourced from PubChem (CID 55968925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).