carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide

C25H25NO6 — CID 91613183

IUPACcarbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide
SMILESC[C@@H](CC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc2ccccc2c1)Cc1ccccc1.O=C=O
InChIInChI=1S/C24H25NO4.CO2/c1-16(13-17-7-3-2-4-8-17)14-21(26)22(27)23(28)24(29)25-20-12-11-18-9-5-6-10-19(18)15-20;2-1-3/h2-12,15-16,22-23,27-28H,13-14H2,1H3,(H,25,29);/t16-,22+,23-;/m1./s1
InChIKeyJTHNBJTZEYCLNN-BXUUWDBSSA-N
MW435.48 g/mol
LogP2.75
Rot. Bonds8

About carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide

carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide (PubChem CID 91613183) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide.

Molecular Properties

Compound Namecarbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide
PubChem CID91613183
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Namecarbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide
SMILESC[C@@H](CC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc2ccccc2c1)Cc1ccccc1.O=C=O
InChIInChI=1S/C24H25NO4.CO2/c1-16(13-17-7-3-2-4-8-17)14-21(26)22(27)23(28)24(29)25-20-12-11-18-9-5-6-10-19(18)15-20;2-1-3/h2-12,15-16,22-23,27-28H,13-14H2,1H3,(H,25,29);/t16-,22+,23-;/m1./s1
InChIKeyJTHNBJTZEYCLNN-BXUUWDBSSA-N
XLogP2.75
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

bis(carbon dioxide);methyl 3-[[(2R,3R,6R)-2,3-dihydroxy-6-methyl-4-oxo-7-phenylheptanoyl]amino]-5-methylbenzoate
CID 91342911
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-(benzylamino)-N-naphthalen-2-ylpropanamide
CID 4870007
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide
CID 166890298
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
CID 175396381
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
CID 111496932
5-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexane-1,3-dicarboxylic acid
CID 11294736
N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
CID 4509851
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide?
The IUPAC name of carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide (CID 91613183) is carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide.
What is the SMILES notation for carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide?
The canonical SMILES for carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide is C[C@@H](CC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc2ccccc2c1)Cc1ccccc1.O=C=O.
What is the InChIKey of carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide?
The InChIKey is JTHNBJTZEYCLNN-BXUUWDBSSA-N. The full InChI is InChI=1S/C24H25NO4.CO2/c1-16(13-17-7-3-2-4-8-17)14-21(26)22(27)23(28)24(29)25-20-12-11-18-9-5-6-10-19(18)15-20;2-1-3/h2-12,15-16,22-23,27-28H,13-14H2,1H3,(H,25,29);/t16-,22+,23-;/m1./s1.
What are the key properties of carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide?
carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide has a molecular weight of 435.48 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(2R,3R,6R)-2,3-dihydroxy-6-methyl-N-naphthalen-2-yl-4-oxo-7-phenylheptanamide is sourced from PubChem (CID 91613183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).