(1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C21H26N2O — CID 96537932

IUPAC(1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)Nc1cccc(CNC(=O)[C@@H]2CCCc3ccccc32)c1
InChIInChI=1S/C21H26N2O/c1-15(2)23-18-10-5-7-16(13-18)14-22-21(24)20-12-6-9-17-8-3-4-11-19(17)20/h3-5,7-8,10-11,13,15,20,23H,6,9,12,14H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyMQWOTQNFUURDQK-HXUWFJFHSA-N
MW322.45 g/mol
LogP4.24
Rot. Bonds5

About (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 96537932) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID96537932
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)Nc1cccc(CNC(=O)[C@@H]2CCCc3ccccc32)c1
InChIInChI=1S/C21H26N2O/c1-15(2)23-18-10-5-7-16(13-18)14-22-21(24)20-12-6-9-17-8-3-4-11-19(17)20/h3-5,7-8,10-11,13,15,20,23H,6,9,12,14H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyMQWOTQNFUURDQK-HXUWFJFHSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61150664
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55954809
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 122131725
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46557813
(1S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51953637
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55715034
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 96537932) is (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)Nc1cccc(CNC(=O)[C@@H]2CCCc3ccccc32)c1.
What is the InChIKey of (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is MQWOTQNFUURDQK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(2)23-18-10-5-7-16(13-18)14-22-21(24)20-12-6-9-17-8-3-4-11-19(17)20/h3-5,7-8,10-11,13,15,20,23H,6,9,12,14H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 96537932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).