5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide

C16H31N3O2 — CID 102706896

IUPAC5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)CN(C)C(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C16H31N3O2/c1-10(2)8-18-15(20)9-19(5)16(21)13-7-14(17)12(4)6-11(13)3/h10-14H,6-9,17H2,1-5H3,(H,18,20)
InChIKeyPGEVXWRMLFUIKO-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.23
Rot. Bonds5

About 5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide

5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 102706896) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID102706896
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)CN(C)C(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C16H31N3O2/c1-10(2)8-18-15(20)9-19(5)16(21)13-7-14(17)12(4)6-11(13)3/h10-14H,6-9,17H2,1-5H3,(H,18,20)
InChIKeyPGEVXWRMLFUIKO-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706526
5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706923
5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706605
5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
CID 102706518
5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 102706607
5-amino-2,4-dimethyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 102706892
5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102706568
4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102706640
cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106320024
5-amino-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102706516

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide (CID 102706896) is 5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide is CC(C)CNC(=O)CN(C)C(=O)C1CC(N)C(C)CC1C.
What is the InChIKey of 5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is PGEVXWRMLFUIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-10(2)8-18-15(20)9-19(5)16(21)13-7-14(17)12(4)6-11(13)3/h10-14H,6-9,17H2,1-5H3,(H,18,20).
What are the key properties of 5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 102706896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).