N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide

C15H21N3O2 — CID 62847252

IUPACN-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C15H21N3O2/c1-15(2,17-3)14(19)18-12-7-6-8-13(11-12)20-10-5-4-9-16/h6-8,11,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyMNPAGQDXNSLFOQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.31
Rot. Bonds7

About N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide

N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 62847252) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide
PubChem CID62847252
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C15H21N3O2/c1-15(2,17-3)14(19)18-12-7-6-8-13(11-12)20-10-5-4-9-16/h6-8,11,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyMNPAGQDXNSLFOQ-UHFFFAOYSA-N
XLogP2.31
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.31
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

2,2,2-trifluoroethyl N-[3-(3-cyanopropoxy)phenyl]carbamate
CID 65173271
3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide
CID 62670693
2-amino-N-[3-(3-cyanopropoxy)phenyl]-3-methylbutanamide
CID 60927001
2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide
CID 60927656
4-[3-(3-cyanopropoxy)anilino]-4-oxobutanoic acid
CID 60933599
N-[3-(3-cyanopropoxy)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927655
2-methyl-2-(methylamino)-N-(3-phenoxyphenyl)propanamide
CID 62845831
2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
CID 60928110
N-[3-(3-cyanopropoxy)phenyl]-4-methylsulfanylbenzamide
CID 87026604
2-[[3-(3-cyanopropoxy)phenyl]sulfamoyl]propanoic acid
CID 61455010
4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
4-[3-[2-(tert-butylamino)ethylamino]phenoxy]butanenitrile
CID 107445357

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide (CID 62847252) is N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1cccc(OCCCC#N)c1.
What is the InChIKey of N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is MNPAGQDXNSLFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,17-3)14(19)18-12-7-6-8-13(11-12)20-10-5-4-9-16/h6-8,11,17H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide?
N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 275.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62847252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).