N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide

C16H21N3O2 — CID 61451516

IUPACN-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(CCC(=O)Nc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-21-11-10-19(15-6-7-15)9-8-16(20)18-14-4-2-13(12-17)3-5-14/h2-5,15H,6-11H2,1H3,(H,18,20)
InChIKeyNZGZGJHAEIMVRI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.00
Rot. Bonds8

About N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide

N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide (PubChem CID 61451516) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
PubChem CID61451516
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(CCC(=O)Nc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-21-11-10-19(15-6-7-15)9-8-16(20)18-14-4-2-13(12-17)3-5-14/h2-5,15H,6-11H2,1H3,(H,18,20)
InChIKeyNZGZGJHAEIMVRI-UHFFFAOYSA-N
XLogP2.00
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide
CID 113117060
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide
CID 94816552
N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61448568
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61453328
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
N-(4-cyanophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448468
N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770129
N-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61453245
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide (CID 61451516) is N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide is COCCN(CCC(=O)Nc1ccc(C#N)cc1)C1CC1.
What is the InChIKey of N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
The InChIKey is NZGZGJHAEIMVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-11-10-19(15-6-7-15)9-8-16(20)18-14-4-2-13(12-17)3-5-14/h2-5,15H,6-11H2,1H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide?
N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide is sourced from PubChem (CID 61451516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).