1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide

C16H21NO — CID 141193933

IUPAC1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide
SMILESCC1(C(N)=O)CCCC2c3ccccc3CCC21
InChIInChI=1S/C16H21NO/c1-16(15(17)18)10-4-7-13-12-6-3-2-5-11(12)8-9-14(13)16/h2-3,5-6,13-14H,4,7-10H2,1H3,(H2,17,18)
InChIKeyFEVMNTWLJITHND-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.01
Rot. Bonds1

About 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide

1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide (PubChem CID 141193933) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide.

Molecular Properties

Compound Name1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide
PubChem CID141193933
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide
SMILESCC1(C(N)=O)CCCC2c3ccccc3CCC21
InChIInChI=1S/C16H21NO/c1-16(15(17)18)10-4-7-13-12-6-3-2-5-11(12)8-9-14(13)16/h2-3,5-6,13-14H,4,7-10H2,1H3,(H2,17,18)
InChIKeyFEVMNTWLJITHND-UHFFFAOYSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;sulfamic acid
CID 67413853
(1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene
CID 173440589
2-[(8S,9S,13R,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetic acid
CID 175889548
(1S)-N-(6-amino-1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carbonyl)-1,4a-dimethyl-6-(methylamino)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
CID 175611557
2-(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl)acetamide
CID 142945036
(1S,4aS,10aR)-N-[(1S,10aR)-6-hydroxy-1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carbonyl]-6-(aminomethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
CID 166983462
1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 69102242
(1S,4aS,10aR)-N-[(1S,10aR)-6-hydroxy-1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carbonyl]-6-(3-aminopropanoylamino)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
CID 166983441
6-(2,3-dihydroxypropanoylamino)-N,1-dimethyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide
CID 175611568
(12aS)-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromen-2-one
CID 58655476
(8R,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine
CID 101173762
dimethyl 1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene-1,1-dicarboxylate
CID 135044942

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide?
The IUPAC name of 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide (CID 141193933) is 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide.
What is the SMILES notation for 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide?
The canonical SMILES for 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide is CC1(C(N)=O)CCCC2c3ccccc3CCC21.
What is the InChIKey of 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide?
The InChIKey is FEVMNTWLJITHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(15(17)18)10-4-7-13-12-6-3-2-5-11(12)8-9-14(13)16/h2-3,5-6,13-14H,4,7-10H2,1H3,(H2,17,18).
What are the key properties of 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide?
1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxamide is sourced from PubChem (CID 141193933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).