trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C19H28N2O2 — CID 67096018

IUPACtrans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1C(=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C19H28N2O2/c1-12(2)16-9-4-13(3)10-17(16)19(23)21-15-7-5-14(6-8-15)11-18(20)22/h5-8,12-13,16-17H,4,9-11H2,1-3H3,(H2,20,22)(H,21,23)/t13-,16+,17?/m1/s1
InChIKeyRLYVZCMMEXADQB-WBTZKQGOSA-N
MW316.45 g/mol
LogP3.36
Rot. Bonds5

About trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 67096018) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID67096018
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametrans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1C(=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C19H28N2O2/c1-12(2)16-9-4-13(3)10-17(16)19(23)21-15-7-5-14(6-8-15)11-18(20)22/h5-8,12-13,16-17H,4,9-11H2,1-3H3,(H2,20,22)(H,21,23)/t13-,16+,17?/m1/s1
InChIKeyRLYVZCMMEXADQB-WBTZKQGOSA-N
XLogP3.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 67096018) is trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)[C@@H]1CC[C@@H](C)CC1C(=O)Nc1ccc(CC(N)=O)cc1.
What is the InChIKey of trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is RLYVZCMMEXADQB-WBTZKQGOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-12(2)16-9-4-13(3)10-17(16)19(23)21-15-7-5-14(6-8-15)11-18(20)22/h5-8,12-13,16-17H,4,9-11H2,1-3H3,(H2,20,22)(H,21,23)/t13-,16+,17?/m1/s1.
What are the key properties of trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 67096018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).