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

C14H19N3O — CID 43271245

IUPACN-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
SMILESCCCN(C)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-4-8-17(3)11(2)14(18)16-13-7-5-6-12(9-13)10-15/h5-7,9,11H,4,8H2,1-3H3,(H,16,18)
InChIKeyHWOYDPAYJHKJSV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.23
Rot. Bonds5

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

N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide (PubChem CID 43271245) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
PubChem CID43271245
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
SMILESCCCN(C)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-4-8-17(3)11(2)14(18)16-13-7-5-6-12(9-13)10-15/h5-7,9,11H,4,8H2,1-3H3,(H,16,18)
InChIKeyHWOYDPAYJHKJSV-UHFFFAOYSA-N
XLogP2.23
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689256
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
CID 61441386
(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102045
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide (CID 43271245) is N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide is CCCN(C)C(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide?
The InChIKey is HWOYDPAYJHKJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-8-17(3)11(2)14(18)16-13-7-5-6-12(9-13)10-15/h5-7,9,11H,4,8H2,1-3H3,(H,16,18).
What are the key properties of N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide?
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide has a molecular weight of 245.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide is sourced from PubChem (CID 43271245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).