(2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide

C14H28N2O2 — CID 89167578

IUPAC(2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide
SMILESC[C@@H](CCCCCN)C(=O)NOC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(8-4-3-7-11-15)14(17)16-18-13-9-5-2-6-10-13/h12-13H,2-11,15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyYLQIEKNJTLDTEH-LBPRGKRZSA-N
MW256.39 g/mol
LogP2.52
Rot. Bonds8

About (2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide

(2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide (PubChem CID 89167578) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide.

Molecular Properties

Compound Name(2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide
PubChem CID89167578
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide
SMILESC[C@@H](CCCCCN)C(=O)NOC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(8-4-3-7-11-15)14(17)16-18-13-9-5-2-6-10-13/h12-13H,2-11,15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyYLQIEKNJTLDTEH-LBPRGKRZSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-7-amino-N-cyclohexyloxy-2-methylheptanamide
CID 89167403
5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
CID 104683632
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410
2-chloro-N-cyclopentyloxypropanamide
CID 83228760
N-cyclopentyloxy-2,3-dimethylbutanamide
CID 83202498
2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide
CID 83202418
cyclopentyl 6-amino-2-(cyanoamino)hexanoate
CID 143660494
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
cycloheptyl 6-hydroxy-2-methylhexanoate
CID 122575742
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357

Frequently Asked Questions

What is the IUPAC name of (2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide?
The IUPAC name of (2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide (CID 89167578) is (2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide.
What is the SMILES notation for (2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide?
The canonical SMILES for (2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide is C[C@@H](CCCCCN)C(=O)NOC1CCCCC1.
What is the InChIKey of (2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide?
The InChIKey is YLQIEKNJTLDTEH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(8-4-3-7-11-15)14(17)16-18-13-9-5-2-6-10-13/h12-13H,2-11,15H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide?
(2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide has a molecular weight of 256.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide is sourced from PubChem (CID 89167578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).