N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide

C17H18N4O3 — CID 38205035

IUPACN-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCCNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N4O3/c18-17(24)21-14-8-4-7-13(11-14)16(23)20-10-9-19-15(22)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22)(H,20,23)(H3,18,21,24)
InChIKeyQKSPZPNYQCWUAJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.34
Rot. Bonds6

About N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide

N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide (PubChem CID 38205035) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
PubChem CID38205035
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCCNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N4O3/c18-17(24)21-14-8-4-7-13(11-14)16(23)20-10-9-19-15(22)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22)(H,20,23)(H3,18,21,24)
InChIKeyQKSPZPNYQCWUAJ-UHFFFAOYSA-N
XLogP1.34
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
3-(carbamoylamino)-N-(2,2-diphenylethyl)benzamide
CID 26313248
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305
3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide
CID 37315817
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870626
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26312131
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849
3-(2-benzamidoethylcarbamoylamino)-N-tert-butylbenzamide
CID 55820315
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
CID 9297573
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide?
The IUPAC name of N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide (CID 38205035) is N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide is NC(=O)Nc1cccc(C(=O)NCCNC(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide?
The InChIKey is QKSPZPNYQCWUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c18-17(24)21-14-8-4-7-13(11-14)16(23)20-10-9-19-15(22)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22)(H,20,23)(H3,18,21,24).
What are the key properties of N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide?
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide has a molecular weight of 326.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide is sourced from PubChem (CID 38205035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).