N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide

C21H25N3O2 — CID 175059823

IUPACN-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide
SMILESCCCCC(=O)NCC(O)NCc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C21H25N3O2/c1-2-3-8-20(25)24-15-21(26)23-14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-22/h4-7,9-12,21,23,26H,2-3,8,14-15H2,1H3,(H,24,25)
InChIKeyWYBQLNUKIWACQU-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.94
Rot. Bonds9

About N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide

N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide (PubChem CID 175059823) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide
PubChem CID175059823
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide
SMILESCCCCC(=O)NCC(O)NCc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C21H25N3O2/c1-2-3-8-20(25)24-15-21(26)23-14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-22/h4-7,9-12,21,23,26H,2-3,8,14-15H2,1H3,(H,24,25)
InChIKeyWYBQLNUKIWACQU-UHFFFAOYSA-N
XLogP2.94
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide
CID 141078300
2-[4-[2-(2-methoxyacetyl)-3-oxoheptyl]phenyl]benzonitrile
CID 10384107
2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-oxo-2-propan-2-ylheptanoic acid
CID 59718054
benzyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;pentanoyl chloride
CID 87407188
N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide
CID 143142608
tert-butyl N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
CID 11529658
2-[4-[(Z)-3-amino-2-formylhept-2-enyl]phenyl]benzonitrile
CID 143886533
N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]butanamide
CID 19012299
N-[[4-(2-cyanophenyl)phenyl]methylcarbamothioyl]benzamide
CID 139663825
methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-hexanoylamino]propanoate
CID 54377595
N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide
CID 166239850
3-[4-(2-cyanophenyl)phenyl]propanoic acid
CID 1394467

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide?
The IUPAC name of N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide (CID 175059823) is N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide.
What is the SMILES notation for N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide?
The canonical SMILES for N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide is CCCCC(=O)NCC(O)NCc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide?
The InChIKey is WYBQLNUKIWACQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-3-8-20(25)24-15-21(26)23-14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-22/h4-7,9-12,21,23,26H,2-3,8,14-15H2,1H3,(H,24,25).
What are the key properties of N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide?
N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide has a molecular weight of 351.45 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide is sourced from PubChem (CID 175059823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).