6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide

C20H29NO2 — CID 177144222

IUPAC6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide
SMILESCNC(=O)C1=CC=C2C3=C(C(C)C)CCC3(C)CCC2C(O)C1
InChIInChI=1S/C20H29NO2/c1-12(2)14-7-9-20(3)10-8-15-16(18(14)20)6-5-13(11-17(15)22)19(23)21-4/h5-6,12,15,17,22H,7-11H2,1-4H3,(H,21,23)
InChIKeyBXHHOQSRMAYMSW-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.51
Rot. Bonds2

About 6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide

6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide (PubChem CID 177144222) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide
PubChem CID177144222
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide
SMILESCNC(=O)C1=CC=C2C3=C(C(C)C)CCC3(C)CCC2C(O)C1
InChIInChI=1S/C20H29NO2/c1-12(2)14-7-9-20(3)10-8-15-16(18(14)20)6-5-13(11-17(15)22)19(23)21-4/h5-6,12,15,17,22H,7-11H2,1-4H3,(H,21,23)
InChIKeyBXHHOQSRMAYMSW-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dimethylamino)propyl]-6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide
CID 177144137
6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide
CID 177144206
6-hydroxy-N,N,3a-trimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide
CID 177144269
N-[[(3aS,5aR,6S)-6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl]methyl]cyclobutanecarboxamide
CID 177144273
6-hydroxy-N-(2-hydroxyethyl)-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide
CID 177144293
(3aS,6S)-6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide
CID 177144302

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide?
The IUPAC name of 6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide (CID 177144222) is 6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide.
What is the SMILES notation for 6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide?
The canonical SMILES for 6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide is CNC(=O)C1=CC=C2C3=C(C(C)C)CCC3(C)CCC2C(O)C1.
What is the InChIKey of 6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide?
The InChIKey is BXHHOQSRMAYMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-12(2)14-7-9-20(3)10-8-15-16(18(14)20)6-5-13(11-17(15)22)19(23)21-4/h5-6,12,15,17,22H,7-11H2,1-4H3,(H,21,23).
What are the key properties of 6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide?
6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N,3a-dimethyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide is sourced from PubChem (CID 177144222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).