N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide

C26H30N4O — CID 174575983

IUPACN-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide
SMILES[H]/N=C(/Cc1ccc(C(=O)Nc2cc(N)ccc2-c2ccccc2)cc1)C[C@@H](C)N(C)C
InChIInChI=1S/C26H30N4O/c1-18(30(2)3)15-23(28)16-19-9-11-21(12-10-19)26(31)29-25-17-22(27)13-14-24(25)20-7-5-4-6-8-20/h4-14,17-18,28H,15-16,27H2,1-3H3,(H,29,31)/b28-23+/t18-/m1/s1
InChIKeyWWAJHVUKLPAZTR-ZGYZAJHOSA-N
MW414.55 g/mol
LogP5.09
Rot. Bonds8

About N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide

N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide (PubChem CID 174575983) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide.

Molecular Properties

Compound NameN-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide
PubChem CID174575983
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC NameN-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide
SMILES[H]/N=C(/Cc1ccc(C(=O)Nc2cc(N)ccc2-c2ccccc2)cc1)C[C@@H](C)N(C)C
InChIInChI=1S/C26H30N4O/c1-18(30(2)3)15-23(28)16-19-9-11-21(12-10-19)26(31)29-25-17-22(27)13-14-24(25)20-7-5-4-6-8-20/h4-14,17-18,28H,15-16,27H2,1-3H3,(H,29,31)/b28-23+/t18-/m1/s1
InChIKeyWWAJHVUKLPAZTR-ZGYZAJHOSA-N
XLogP5.09
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide
CID 174575864
N-(2-amino-5-thiophen-3-ylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide
CID 174575858
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 174689316
N-(5-amino-2-phenylphenyl)-4-[(3S)-3-[[2-(dimethylamino)acetyl]amino]pyrrolidin-1-yl]benzamide
CID 174689348
4-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(5-amino-2-phenylphenyl)benzamide
CID 174677274
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 174590628
N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide
CID 89462725
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(3S)-3-ethyl-2,5-diiminooctyl]benzamide
CID 174590649
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide?
The IUPAC name of N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide (CID 174575983) is N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide.
What is the SMILES notation for N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide?
The canonical SMILES for N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide is [H]/N=C(/Cc1ccc(C(=O)Nc2cc(N)ccc2-c2ccccc2)cc1)C[C@@H](C)N(C)C.
What is the InChIKey of N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide?
The InChIKey is WWAJHVUKLPAZTR-ZGYZAJHOSA-N. The full InChI is InChI=1S/C26H30N4O/c1-18(30(2)3)15-23(28)16-19-9-11-21(12-10-19)26(31)29-25-17-22(27)13-14-24(25)20-7-5-4-6-8-20/h4-14,17-18,28H,15-16,27H2,1-3H3,(H,29,31)/b28-23+/t18-/m1/s1.
What are the key properties of N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide?
N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide is sourced from PubChem (CID 174575983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).