N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide

C14H26N2O3 — CID 141010119

IUPACN-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCOC(C[C@H](C)NC(=O)C1CCC(C)CC1)C(N)=O
InChIInChI=1S/C14H26N2O3/c1-9-4-6-11(7-5-9)14(18)16-10(2)8-12(19-3)13(15)17/h9-12H,4-8H2,1-3H3,(H2,15,17)(H,16,18)/t9?,10-,11?,12?/m0/s1
InChIKeyYJZDYPQVVSNPHQ-GHNGPNRHSA-N
MW270.37 g/mol
LogP1.21
Rot. Bonds6

About N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide

N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 141010119) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID141010119
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCOC(C[C@H](C)NC(=O)C1CCC(C)CC1)C(N)=O
InChIInChI=1S/C14H26N2O3/c1-9-4-6-11(7-5-9)14(18)16-10(2)8-12(19-3)13(15)17/h9-12H,4-8H2,1-3H3,(H2,15,17)(H,16,18)/t9?,10-,11?,12?/m0/s1
InChIKeyYJZDYPQVVSNPHQ-GHNGPNRHSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 141010119) is N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide is COC(C[C@H](C)NC(=O)C1CCC(C)CC1)C(N)=O.
What is the InChIKey of N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is YJZDYPQVVSNPHQ-GHNGPNRHSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9-4-6-11(7-5-9)14(18)16-10(2)8-12(19-3)13(15)17/h9-12H,4-8H2,1-3H3,(H2,15,17)(H,16,18)/t9?,10-,11?,12?/m0/s1.
What are the key properties of N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 141010119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).