N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide

C14H28N2O2 — CID 98268645

IUPACN-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCCN(C)C[C@@H](C)CNC(=O)C1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-16(3)10-11(2)9-15-14(18)12-5-7-13(17)8-6-12/h11-13,17H,4-10H2,1-3H3,(H,15,18)/t11-,12?,13?/m0/s1
InChIKeyBZJNLPRYYFPLBH-HIFPTAJRSA-N
MW256.39 g/mol
LogP1.24
Rot. Bonds6

About N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide

N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 98268645) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID98268645
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCCN(C)C[C@@H](C)CNC(=O)C1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-16(3)10-11(2)9-15-14(18)12-5-7-13(17)8-6-12/h11-13,17H,4-10H2,1-3H3,(H,15,18)/t11-,12?,13?/m0/s1
InChIKeyBZJNLPRYYFPLBH-HIFPTAJRSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane
CID 166075449
ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
CID 164564557
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide
CID 136538686
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
3-methyl-4-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 120536964
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide (CID 98268645) is N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide is CCN(C)C[C@@H](C)CNC(=O)C1CCC(O)CC1.
What is the InChIKey of N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is BZJNLPRYYFPLBH-HIFPTAJRSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-16(3)10-11(2)9-15-14(18)12-5-7-13(17)8-6-12/h11-13,17H,4-10H2,1-3H3,(H,15,18)/t11-,12?,13?/m0/s1.
What are the key properties of N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide?
N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 98268645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).