N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide

C16H17N3O2 — CID 37465986

IUPACN-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1C#N)Cc1ccco1
InChIInChI=1S/C16H17N3O2/c1-19(12-14-6-4-10-21-14)9-8-16(20)18-15-7-3-2-5-13(15)11-17/h2-7,10H,8-9,12H2,1H3,(H,18,20)
InChIKeyCQPYIHPTYKDRTD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.61
Rot. Bonds6

About N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide

N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide (PubChem CID 37465986) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
PubChem CID37465986
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1C#N)Cc1ccco1
InChIInChI=1S/C16H17N3O2/c1-19(12-14-6-4-10-21-14)9-8-16(20)18-15-7-3-2-5-13(15)11-17/h2-7,10H,8-9,12H2,1H3,(H,18,20)
InChIKeyCQPYIHPTYKDRTD-UHFFFAOYSA-N
XLogP2.61
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide 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-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694009
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813
N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107199658
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295810
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 24589152
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62985534
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide (CID 37465986) is N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide is CN(CCC(=O)Nc1ccccc1C#N)Cc1ccco1.
What is the InChIKey of N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide?
The InChIKey is CQPYIHPTYKDRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(12-14-6-4-10-21-14)9-8-16(20)18-15-7-3-2-5-13(15)11-17/h2-7,10H,8-9,12H2,1H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide?
N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide has a molecular weight of 283.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 37465986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).