N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide

C14H21N3O3 — CID 47200679

IUPACN-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
SMILESCCNC(=O)c1cccc(NC(=O)NCCCOC)c1
InChIInChI=1S/C14H21N3O3/c1-3-15-13(18)11-6-4-7-12(10-11)17-14(19)16-8-5-9-20-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyUCHNEISDYGXOMT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.59
Rot. Bonds7

About N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide

N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide (PubChem CID 47200679) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
PubChem CID47200679
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
SMILESCCNC(=O)c1cccc(NC(=O)NCCCOC)c1
InChIInChI=1S/C14H21N3O3/c1-3-15-13(18)11-6-4-7-12(10-11)17-14(19)16-8-5-9-20-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyUCHNEISDYGXOMT-UHFFFAOYSA-N
XLogP1.59
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
3-acetamido-N-ethylbenzamide
CID 17230670
3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
1-(3-methoxypropyl)-3-(3-methylsulfonylphenyl)urea
CID 47201415
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
CID 108865105
3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
CID 47201886
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 26160147
ethyl 3-(3-propoxypropylcarbamoylamino)benzoate
CID 3693237

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide?
The IUPAC name of N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide (CID 47200679) is N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide.
What is the SMILES notation for N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide?
The canonical SMILES for N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide is CCNC(=O)c1cccc(NC(=O)NCCCOC)c1.
What is the InChIKey of N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide?
The InChIKey is UCHNEISDYGXOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-15-13(18)11-6-4-7-12(10-11)17-14(19)16-8-5-9-20-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide?
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide is sourced from PubChem (CID 47200679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).