4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide

C15H29N3O2 — CID 60846944

IUPAC4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1CCC(N)CC1)C(=O)N(C)C
InChIInChI=1S/C15H29N3O2/c1-10(2)9-13(15(20)18(3)4)17-14(19)11-5-7-12(16)8-6-11/h10-13H,5-9,16H2,1-4H3,(H,17,19)
InChIKeyCARPZGQZNCATKA-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.12
Rot. Bonds5

About 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide

4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide (PubChem CID 60846944) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide
PubChem CID60846944
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1CCC(N)CC1)C(=O)N(C)C
InChIInChI=1S/C15H29N3O2/c1-10(2)9-13(15(20)18(3)4)17-14(19)11-5-7-12(16)8-6-11/h10-13H,5-9,16H2,1-4H3,(H,17,19)
InChIKeyCARPZGQZNCATKA-UHFFFAOYSA-N
XLogP1.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanecarboxamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-
CID 11543222
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide
CID 4222340
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
N,N'-1,2-propanediyldicyclohexanecarboxamide
CID 2921928
Dibutyl ethylhexanoyl glutamide
CID 11417726
N-3-fluorobenzoyl-L-leucine-glycine nitrile (21)
CID 127054393
N-2,3-difluorobenzoyl-L-leucine-glycine nitrile (22)
CID 127054394
1-(Formyl-isopropyl-amino)-cyclohexanecarboxylic acid cyclohexylamide
CID 651913
2-(cyclohexylformamido)-N,N-dimethylacetamide
CID 800131
(2S)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropylamino)pentanoyl]amino]pentanoyl]amino]-4-methylpentanamide
CID 11744611

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide (CID 60846944) is 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide is CC(C)CC(NC(=O)C1CCC(N)CC1)C(=O)N(C)C.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is CARPZGQZNCATKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-10(2)9-13(15(20)18(3)4)17-14(19)11-5-7-12(16)8-6-11/h10-13H,5-9,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60846944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).