(3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one

C29H29NO — CID 154665797

IUPAC(3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one
SMILESC[C@H](CN(C)C)C(C(=O)c1cccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO/c1-22(21-30(2)3)29(24-15-6-4-7-16-24,25-17-8-5-9-18-25)28(31)27-20-12-14-23-13-10-11-19-26(23)27/h4-20,22H,21H2,1-3H3/t22-/m1/s1
InChIKeyBKSKRXHQLXTGPQ-JOCHJYFZSA-N
MW407.56 g/mol
LogP6.21
Rot. Bonds7

About (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one

(3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one (PubChem CID 154665797) has the molecular formula C29H29NO and a molecular weight of 407.56 g/mol. Its IUPAC name is (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one.

Molecular Properties

Compound Name(3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one
PubChem CID154665797
Molecular FormulaC29H29NO
Molecular Weight407.56 g/mol
Exact Mass407.22
IUPAC Name(3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one
SMILESC[C@H](CN(C)C)C(C(=O)c1cccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO/c1-22(21-30(2)3)29(24-15-6-4-7-16-24,25-17-8-5-9-18-25)28(31)27-20-12-14-23-13-10-11-19-26(23)27/h4-20,22H,21H2,1-3H3/t22-/m1/s1
InChIKeyBKSKRXHQLXTGPQ-JOCHJYFZSA-N
XLogP6.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;methanol;pyridine
CID 175330343
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
2,2-dibromo-2-fluoro-1-naphthalen-1-ylethanone
CID 175439147
2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone
CID 91636167
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 79057550
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
2-iodo-1-naphthalen-1-ylbutane-1,3-dione
CID 165350066
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one?
The IUPAC name of (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one (CID 154665797) is (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one.
What is the SMILES notation for (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one?
The canonical SMILES for (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one is C[C@H](CN(C)C)C(C(=O)c1cccc2ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one?
The InChIKey is BKSKRXHQLXTGPQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H29NO/c1-22(21-30(2)3)29(24-15-6-4-7-16-24,25-17-8-5-9-18-25)28(31)27-20-12-14-23-13-10-11-19-26(23)27/h4-20,22H,21H2,1-3H3/t22-/m1/s1.
What are the key properties of (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one?
(3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one has a molecular weight of 407.56 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(dimethylamino)-3-methyl-1-naphthalen-1-yl-2,2-diphenylbutan-1-one is sourced from PubChem (CID 154665797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).