N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C22H28N2O — CID 18267387

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCN(c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1)C(C)C
InChIInChI=1S/C22H28N2O/c1-4-24(16(2)3)21-13-11-20(12-14-21)23-22(25)19-10-9-17-7-5-6-8-18(17)15-19/h9-16H,4-8H2,1-3H3,(H,23,25)
InChIKeyZDESKRJDZLILJM-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.05
Rot. Bonds5

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 18267387) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID18267387
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCN(c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1)C(C)C
InChIInChI=1S/C22H28N2O/c1-4-24(16(2)3)21-13-11-20(12-14-21)23-22(25)19-10-9-17-7-5-6-8-18(17)15-19/h9-16H,4-8H2,1-3H3,(H,23,25)
InChIKeyZDESKRJDZLILJM-UHFFFAOYSA-N
XLogP5.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55786918
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 18106356
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846
4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 46560402
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60563699
1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide
CID 26894071
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2453316
N-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011603
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-[3-(carbamoylamino)phenyl]-4-[ethyl(propan-2-yl)amino]benzamide
CID 75405974

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 18267387) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCN(c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ZDESKRJDZLILJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-4-24(16(2)3)21-13-11-20(12-14-21)23-22(25)19-10-9-17-7-5-6-8-18(17)15-19/h9-16H,4-8H2,1-3H3,(H,23,25).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 18267387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).