(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide

C19H21NO — CID 143660147

IUPAC(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCNC(=O)[C@@]1(c2ccccc2)CC[C@H](C)c2ccccc21
InChIInChI=1S/C19H21NO/c1-14-12-13-19(18(21)20-2,15-8-4-3-5-9-15)17-11-7-6-10-16(14)17/h3-11,14H,12-13H2,1-2H3,(H,20,21)/t14-,19+/m0/s1
InChIKeyMIRRNRWBFMBPHA-IFXJQAMLSA-N
MW279.38 g/mol
LogP3.62
Rot. Bonds2

About (1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide

(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 143660147) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID143660147
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCNC(=O)[C@@]1(c2ccccc2)CC[C@H](C)c2ccccc21
InChIInChI=1S/C19H21NO/c1-14-12-13-19(18(21)20-2,15-8-4-3-5-9-15)17-11-7-6-10-16(14)17/h3-11,14H,12-13H2,1-2H3,(H,20,21)/t14-,19+/m0/s1
InChIKeyMIRRNRWBFMBPHA-IFXJQAMLSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4S)-4-(dimethylamino)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride
CID 23621474
(1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 58025593
1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115418746
ethyl (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate;ethyl (1S)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate;ethyl 4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 157161340
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 116769560
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 58025530
(1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride
CID 138400479
4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 67149549
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
(1S,4R)-4-[(4-benzamidopiperidin-1-yl)methyl]-N-ethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 58025554

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of (1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 143660147) is (1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for (1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for (1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide is CNC(=O)[C@@]1(c2ccccc2)CC[C@H](C)c2ccccc21.
What is the InChIKey of (1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is MIRRNRWBFMBPHA-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-12-13-19(18(21)20-2,15-8-4-3-5-9-15)17-11-7-6-10-16(14)17/h3-11,14H,12-13H2,1-2H3,(H,20,21)/t14-,19+/m0/s1.
What are the key properties of (1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 143660147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).