N-(3-cyanopropyl)-3-propoxybenzamide

C14H18N2O2 — CID 62920708

IUPACN-(3-cyanopropyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCCC#N)c1
InChIInChI=1S/C14H18N2O2/c1-2-10-18-13-7-5-6-12(11-13)14(17)16-9-4-3-8-15/h5-7,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyAVECVBRETJBFSY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.51
Rot. Bonds7

About N-(3-cyanopropyl)-3-propoxybenzamide

N-(3-cyanopropyl)-3-propoxybenzamide (PubChem CID 62920708) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-cyanopropyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-3-propoxybenzamide
PubChem CID62920708
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(3-cyanopropyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCCC#N)c1
InChIInChI=1S/C14H18N2O2/c1-2-10-18-13-7-5-6-12(11-13)14(17)16-9-4-3-8-15/h5-7,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyAVECVBRETJBFSY-UHFFFAOYSA-N
XLogP2.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-cyanopropyl)-3-propoxybenzamide 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

3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-pent-3-ynyl-3-propoxybenzamide
CID 115977193
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide
CID 103767620
3-[[[3-(3-cyanopropoxy)phenyl]methylamino]methyl]-N-ethylbenzamide
CID 119109098
3-(2-ethoxyethoxy)-N-hexadecylbenzamide
CID 17139521

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-3-propoxybenzamide?
The IUPAC name of N-(3-cyanopropyl)-3-propoxybenzamide (CID 62920708) is N-(3-cyanopropyl)-3-propoxybenzamide.
What is the SMILES notation for N-(3-cyanopropyl)-3-propoxybenzamide?
The canonical SMILES for N-(3-cyanopropyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NCCCC#N)c1.
What is the InChIKey of N-(3-cyanopropyl)-3-propoxybenzamide?
The InChIKey is AVECVBRETJBFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-10-18-13-7-5-6-12(11-13)14(17)16-9-4-3-8-15/h5-7,11H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of N-(3-cyanopropyl)-3-propoxybenzamide?
N-(3-cyanopropyl)-3-propoxybenzamide has a molecular weight of 246.31 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-3-propoxybenzamide is sourced from PubChem (CID 62920708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).