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

C17H23N3O — CID 60689256

IUPACN-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
SMILESCCCN(CC1CC1)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H23N3O/c1-3-9-20(12-14-7-8-14)13(2)17(21)19-16-6-4-5-15(10-16)11-18/h4-6,10,13-14H,3,7-9,12H2,1-2H3,(H,19,21)
InChIKeyMBHJDYBOUCJOJJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds7

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

N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide (PubChem CID 60689256) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
PubChem CID60689256
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
SMILESCCCN(CC1CC1)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H23N3O/c1-3-9-20(12-14-7-8-14)13(2)17(21)19-16-6-4-5-15(10-16)11-18/h4-6,10,13-14H,3,7-9,12H2,1-2H3,(H,19,21)
InChIKeyMBHJDYBOUCJOJJ-UHFFFAOYSA-N
XLogP3.01
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
CID 61441386
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43479003
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107479644
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide (CID 60689256) is N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide is CCCN(CC1CC1)C(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
The InChIKey is MBHJDYBOUCJOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-9-20(12-14-7-8-14)13(2)17(21)19-16-6-4-5-15(10-16)11-18/h4-6,10,13-14H,3,7-9,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide?
N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide is sourced from PubChem (CID 60689256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).