N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide

C16H21N3O — CID 43569140

IUPACN-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
SMILESCC(C1CC1)N(C)CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H21N3O/c1-12(14-6-7-14)19(2)9-8-16(20)18-15-5-3-4-13(10-15)11-17/h3-5,10,12,14H,6-9H2,1-2H3,(H,18,20)
InChIKeyHMJFBVLDGQIVNP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.62
Rot. Bonds6

About N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide

N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide (PubChem CID 43569140) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
PubChem CID43569140
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
SMILESCC(C1CC1)N(C)CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H21N3O/c1-12(14-6-7-14)19(2)9-8-16(20)18-15-5-3-4-13(10-15)11-17/h3-5,10,12,14H,6-9H2,1-2H3,(H,18,20)
InChIKeyHMJFBVLDGQIVNP-UHFFFAOYSA-N
XLogP2.62
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 80712090
N-(3-cyanophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115898088
N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide
CID 115666850
N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
CID 43264179
N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 103706215
N-(3-cyanophenyl)-3-(2-methylpropylsulfanyl)propanamide
CID 28887997
N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026283
N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 33477524
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
CID 41047179

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide (CID 43569140) is N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide is CC(C1CC1)N(C)CCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
The InChIKey is HMJFBVLDGQIVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(14-6-7-14)19(2)9-8-16(20)18-15-5-3-4-13(10-15)11-17/h3-5,10,12,14H,6-9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide?
N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide is sourced from PubChem (CID 43569140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).