3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide

C19H25N3O2 — CID 113122793

IUPAC3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C#N)C1CCCCCC1
InChIInChI=1S/C19H25N3O2/c1-15(23)22(17-9-4-2-3-5-10-17)13-12-19(24)21-18-11-7-6-8-16(18)14-20/h6-8,11,17H,2-5,9-10,12-13H2,1H3,(H,21,24)
InChIKeyNQHRBWXDNSDIAQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.46
Rot. Bonds5

About 3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide

3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide (PubChem CID 113122793) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
PubChem CID113122793
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C#N)C1CCCCCC1
InChIInChI=1S/C19H25N3O2/c1-15(23)22(17-9-4-2-3-5-10-17)13-12-19(24)21-18-11-7-6-8-16(18)14-20/h6-8,11,17H,2-5,9-10,12-13H2,1H3,(H,21,24)
InChIKeyNQHRBWXDNSDIAQ-UHFFFAOYSA-N
XLogP3.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122330
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55626339
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide (CID 113122793) is 3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C#N)C1CCCCCC1.
What is the InChIKey of 3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide?
The InChIKey is NQHRBWXDNSDIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(23)22(17-9-4-2-3-5-10-17)13-12-19(24)21-18-11-7-6-8-16(18)14-20/h6-8,11,17H,2-5,9-10,12-13H2,1H3,(H,21,24).
What are the key properties of 3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide?
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 113122793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).