N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide

C23H23N3O — CID 172661655

IUPACN-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCC(C)(C#N)c1ccc(-c2ccc(C(=O)NCCN)c3ccccc23)cc1
InChIInChI=1S/C23H23N3O/c1-23(2,15-25)17-9-7-16(8-10-17)18-11-12-21(22(27)26-14-13-24)20-6-4-3-5-19(18)20/h3-12H,13-14,24H2,1-2H3,(H,26,27)
InChIKeyBZEQRPYUWATEHS-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.00
Rot. Bonds5

About N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide

N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 172661655) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide
PubChem CID172661655
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCC(C)(C#N)c1ccc(-c2ccc(C(=O)NCCN)c3ccccc23)cc1
InChIInChI=1S/C23H23N3O/c1-23(2,15-25)17-9-7-16(8-10-17)18-11-12-21(22(27)26-14-13-24)20-6-4-3-5-19(18)20/h3-12H,13-14,24H2,1-2H3,(H,26,27)
InChIKeyBZEQRPYUWATEHS-UHFFFAOYSA-N
XLogP4.00
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide
CID 172671517
4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide
CID 172669867
2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide
CID 121494417
N-[4-(3-acetamidophenyl)phenyl]-4-(4-tert-butylphenyl)naphthalene-1-carboxamide
CID 11851846
N-(2-aminoethyl)benzamide;ethane
CID 143976252
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide
CID 175644929
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile
CID 71188452
4-amino-N-butylnaphthalene-1-carboxamide
CID 70501501
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide (CID 172661655) is N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide is CC(C)(C#N)c1ccc(-c2ccc(C(=O)NCCN)c3ccccc23)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is BZEQRPYUWATEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-23(2,15-25)17-9-7-16(8-10-17)18-11-12-21(22(27)26-14-13-24)20-6-4-3-5-19(18)20/h3-12H,13-14,24H2,1-2H3,(H,26,27).
What are the key properties of N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide?
N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 172661655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).