N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide

C15H21N3O2 — CID 71919833

IUPACN-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide
SMILESCCCNc1ccc(C#N)cc1NC(=O)C(C)COC
InChIInChI=1S/C15H21N3O2/c1-4-7-17-13-6-5-12(9-16)8-14(13)18-15(19)11(2)10-20-3/h5-6,8,11,17H,4,7,10H2,1-3H3,(H,18,19)
InChIKeyBVDAPEDDGOECMY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.60
Rot. Bonds7

About N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide

N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide (PubChem CID 71919833) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide
PubChem CID71919833
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide
SMILESCCCNc1ccc(C#N)cc1NC(=O)C(C)COC
InChIInChI=1S/C15H21N3O2/c1-4-7-17-13-6-5-12(9-16)8-14(13)18-15(19)11(2)10-20-3/h5-6,8,11,17H,4,7,10H2,1-3H3,(H,18,19)
InChIKeyBVDAPEDDGOECMY-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 71980635
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide
CID 71919829
N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 75425610
3-bromo-4-(propylamino)benzonitrile
CID 43722910
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-3-methylpentanamide
CID 62105604
N-(5-cyano-2-methylphenyl)-2-ethylhexanamide
CID 47475993
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
4-nitro-3-(propylamino)benzonitrile
CID 115763494
2-bromo-N-(4-cyano-2-methoxyphenyl)propanamide
CID 107905736
1-(4-cyano-2-pentan-2-ylphenyl)-3-methoxyurea
CID 134267308
3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide
CID 106111666

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide?
The IUPAC name of N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide (CID 71919833) is N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide?
The canonical SMILES for N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide is CCCNc1ccc(C#N)cc1NC(=O)C(C)COC.
What is the InChIKey of N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide?
The InChIKey is BVDAPEDDGOECMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-7-17-13-6-5-12(9-16)8-14(13)18-15(19)11(2)10-20-3/h5-6,8,11,17H,4,7,10H2,1-3H3,(H,18,19).
What are the key properties of N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide?
N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 71919833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).