trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C20H32N2O2 — CID 143527408

IUPACtrans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CC[C@@H](C)C[C@H]1C(=O)NC1=C(CC(=O)CN)CCC=C1
InChIInChI=1S/C20H32N2O2/c1-13(2)17-9-8-14(3)10-18(17)20(24)22-19-7-5-4-6-15(19)11-16(23)12-21/h5,7,13-14,17-18H,4,6,8-12,21H2,1-3H3,(H,22,24)/t14-,17?,18-/m1/s1
InChIKeyZFBMZSLUVMUYEL-FHKHCFAMSA-N
MW332.49 g/mol
LogP3.33
Rot. Bonds6

About trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 143527408) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID143527408
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nametrans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CC[C@@H](C)C[C@H]1C(=O)NC1=C(CC(=O)CN)CCC=C1
InChIInChI=1S/C20H32N2O2/c1-13(2)17-9-8-14(3)10-18(17)20(24)22-19-7-5-4-6-15(19)11-16(23)12-21/h5,7,13-14,17-18H,4,6,8-12,21H2,1-3H3,(H,22,24)/t14-,17?,18-/m1/s1
InChIKeyZFBMZSLUVMUYEL-FHKHCFAMSA-N
XLogP3.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 143527408) is trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CC[C@@H](C)C[C@H]1C(=O)NC1=C(CC(=O)CN)CCC=C1.
What is the InChIKey of trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZFBMZSLUVMUYEL-FHKHCFAMSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-13(2)17-9-8-14(3)10-18(17)20(24)22-19-7-5-4-6-15(19)11-16(23)12-21/h5,7,13-14,17-18H,4,6,8-12,21H2,1-3H3,(H,22,24)/t14-,17?,18-/m1/s1.
What are the key properties of trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-N-[2-(3-amino-2-oxopropyl)cyclohexa-1,5-dien-1-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 143527408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).