2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C26H26N2O — CID 57264038

IUPAC2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESNC(=O)C(CC1CCCc2ccccc21)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O/c27-26(29)24(18-22-16-9-15-19-10-7-8-17-23(19)22)28-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,10-14,17,22,24H,9,15-16,18H2,(H2,27,29)
InChIKeyMKNWJVJBIGYLJQ-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.89
Rot. Bonds6

About 2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 57264038) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID57264038
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESNC(=O)C(CC1CCCc2ccccc21)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O/c27-26(29)24(18-22-16-9-15-19-10-7-8-17-23(19)22)28-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,10-14,17,22,24H,9,15-16,18H2,(H2,27,29)
InChIKeyMKNWJVJBIGYLJQ-UHFFFAOYSA-N
XLogP4.89
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-[3-amino-2-(benzhydrylideneamino)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl] 2-hydroxyacetate
CID 57034459
2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 57082101
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 107773515
2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 57286151
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal
CID 64663678

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 57264038) is 2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is NC(=O)C(CC1CCCc2ccccc21)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is MKNWJVJBIGYLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c27-26(29)24(18-22-16-9-15-19-10-7-8-17-23(19)22)28-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,10-14,17,22,24H,9,15-16,18H2,(H2,27,29).
What are the key properties of 2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 57264038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).