2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide

C14H28N2O — CID 114458404

IUPAC2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(C)NCCNC(=O)CC1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-12(2)15-9-10-16-14(17)11-13-7-5-3-4-6-8-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyXMXQBIHGNYPECZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds6

About 2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide

2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 114458404) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
PubChem CID114458404
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(C)NCCNC(=O)CC1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-12(2)15-9-10-16-14(17)11-13-7-5-3-4-6-8-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyXMXQBIHGNYPECZ-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
2-cyclohexyl-N-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]acetamide
CID 111127424
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095564
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313805
N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide
CID 106157136
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176
2-cyclohexyl-N-octylacetamide
CID 3547359
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
2-cyclohexyl-N-[2-(methylamino)propyl]acetamide
CID 103512587
N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide
CID 119313809

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide (CID 114458404) is 2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide is CC(C)NCCNC(=O)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is XMXQBIHGNYPECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)15-9-10-16-14(17)11-13-7-5-3-4-6-8-13/h12-13,15H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide?
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 114458404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).