2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

C26H28N2O — CID 57286151

IUPAC2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESNC(=O)C(CCC1CCCc2ccccc21)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O/c27-26(29)25(19-18-21-12-9-11-20-10-7-8-17-24(20)21)28(22-13-3-1-4-14-22)23-15-5-2-6-16-23/h1-8,10,13-17,21,25H,9,11-12,18-19H2,(H2,27,29)
InChIKeyKXEMANFWBKFRDQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.58
Rot. Bonds7

About 2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (PubChem CID 57286151) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
PubChem CID57286151
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESNC(=O)C(CCC1CCCc2ccccc21)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O/c27-26(29)25(19-18-21-12-9-11-20-10-7-8-17-24(20)21)28(22-13-3-1-4-14-22)23-15-5-2-6-16-23/h1-8,10,13-17,21,25H,9,11-12,18-19H2,(H2,27,29)
InChIKeyKXEMANFWBKFRDQ-UHFFFAOYSA-N
XLogP5.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal
CID 64663678
2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 57264038
N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 56980067
2-(N-benzylanilino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanal
CID 57185914
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 107773515
2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 57082101
8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 141082859
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
CID 22922689

Frequently Asked Questions

What is the IUPAC name of 2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The IUPAC name of 2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (CID 57286151) is 2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.
What is the SMILES notation for 2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The canonical SMILES for 2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is NC(=O)C(CCC1CCCc2ccccc21)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The InChIKey is KXEMANFWBKFRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c27-26(29)25(19-18-21-12-9-11-20-10-7-8-17-24(20)21)28(22-13-3-1-4-14-22)23-15-5-2-6-16-23/h1-8,10,13-17,21,25H,9,11-12,18-19H2,(H2,27,29).
What are the key properties of 2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide has a molecular weight of 384.52 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is sourced from PubChem (CID 57286151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).