2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide

C18H26N2O — CID 142474618

IUPAC2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide
SMILESCC1CCCC2(C)c3cc(NC(=O)CN)ccc3CCC12
InChIInChI=1S/C18H26N2O/c1-12-4-3-9-18(2)15(12)8-6-13-5-7-14(10-16(13)18)20-17(21)11-19/h5,7,10,12,15H,3-4,6,8-9,11,19H2,1-2H3,(H,20,21)
InChIKeyZSUPBJMGXHHSCR-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.22
Rot. Bonds2

About 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide

2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide (PubChem CID 142474618) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide
PubChem CID142474618
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide
SMILESCC1CCCC2(C)c3cc(NC(=O)CN)ccc3CCC12
InChIInChI=1S/C18H26N2O/c1-12-4-3-9-18(2)15(12)8-6-13-5-7-14(10-16(13)18)20-17(21)11-19/h5,7,10,12,15H,3-4,6,8-9,11,19H2,1-2H3,(H,20,21)
InChIKeyZSUPBJMGXHHSCR-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide with MolForge

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Related Compounds

(1R,4aS,10aS)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene;carbon dioxide
CID 158179701
(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
methyl 6-amino-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
CID 146256432
4-(4b,8-dimethyl-2-propan-2-yl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)butanoic acid
CID 67472832
1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene;ethane;ethanol
CID 142551847
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
6-bromo-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene
CID 67472797
(1S,4aS,10aR)-N-[(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]-1,4a-dimethyl-6-[[2-(methylamino)acetyl]amino]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
CID 135379982
(1S,4aS,10aR)-N-(6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl)-1,4a-dimethyl-6-[[2-(methylamino)acetyl]amino]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
CID 140948383
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866
(1S)-N-(6-amino-1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carbonyl)-6-[5-(carbamoylamino)pentanoylamino]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
CID 146256634
[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]carbamic acid
CID 135379458

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide?
The IUPAC name of 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide (CID 142474618) is 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide?
The canonical SMILES for 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide is CC1CCCC2(C)c3cc(NC(=O)CN)ccc3CCC12.
What is the InChIKey of 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide?
The InChIKey is ZSUPBJMGXHHSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-4-3-9-18(2)15(12)8-6-13-5-7-14(10-16(13)18)20-17(21)11-19/h5,7,10,12,15H,3-4,6,8-9,11,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide?
2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4b,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-yl)acetamide is sourced from PubChem (CID 142474618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).