N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide

C15H23N3O3 — CID 46437560

IUPACN-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-11(2)17-15(20)18-13-7-4-6-12(10-13)14(19)16-8-5-9-21-3/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeySLROZXZXUKJMJW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.98
Rot. Bonds7

About N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide

N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 46437560) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID46437560
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-11(2)17-15(20)18-13-7-4-6-12(10-13)14(19)16-8-5-9-21-3/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeySLROZXZXUKJMJW-UHFFFAOYSA-N
XLogP1.98
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.98
H-Bond Donors ≤ 53
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-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
N-(3-methoxypropyl)-3-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 26160870
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 26160147
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide (CID 46437560) is N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide is COCCCNC(=O)c1cccc(NC(=O)NC(C)C)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is SLROZXZXUKJMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)17-15(20)18-13-7-4-6-12(10-13)14(19)16-8-5-9-21-3/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide?
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 293.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 46437560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).