3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide

C14H19N3O2 — CID 62670693

IUPAC3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C14H19N3O2/c1-11(10-16)14(18)17-12-5-4-6-13(9-12)19-8-3-2-7-15/h4-6,9,11H,2-3,8,10,16H2,1H3,(H,17,18)
InChIKeyZNDSBVSSCHCYPO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.90
Rot. Bonds7

About 3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide

3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide (PubChem CID 62670693) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide
PubChem CID62670693
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C14H19N3O2/c1-11(10-16)14(18)17-12-5-4-6-13(9-12)19-8-3-2-7-15/h4-6,9,11H,2-3,8,10,16H2,1H3,(H,17,18)
InChIKeyZNDSBVSSCHCYPO-UHFFFAOYSA-N
XLogP1.90
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(3-cyanopropoxy)phenyl]-3-methylbutanamide
CID 60927001
2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide
CID 60927656
N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 60531952
2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
CID 60928110
N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369471
N-[3-(3-cyanopropoxy)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927655
N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62847252
4-[3-(3-cyanopropoxy)anilino]-4-oxobutanoic acid
CID 60933599
2,2,2-trifluoroethyl N-[3-(3-cyanopropoxy)phenyl]carbamate
CID 65173271
N-[3-(3-cyanopropoxy)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55878338
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
N-[3-(3-cyanopropoxy)phenyl]-4-methylsulfanylbenzamide
CID 87026604

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide (CID 62670693) is 3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide is CC(CN)C(=O)Nc1cccc(OCCCC#N)c1.
What is the InChIKey of 3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide?
The InChIKey is ZNDSBVSSCHCYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(10-16)14(18)17-12-5-4-6-13(9-12)19-8-3-2-7-15/h4-6,9,11H,2-3,8,10,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide?
3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide is sourced from PubChem (CID 62670693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).