N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide

C15H28ClNO — CID 106157136

IUPACN-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide
SMILESCC(CCl)CCCNC(=O)CC1CCCCCC1
InChIInChI=1S/C15H28ClNO/c1-13(12-16)7-6-10-17-15(18)11-14-8-4-2-3-5-9-14/h13-14H,2-12H2,1H3,(H,17,18)
InChIKeyGCWKSLMDXBYYKU-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.12
Rot. Bonds7

About N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide

N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide (PubChem CID 106157136) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide
PubChem CID106157136
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide
SMILESCC(CCl)CCCNC(=O)CC1CCCCCC1
InChIInChI=1S/C15H28ClNO/c1-13(12-16)7-6-10-17-15(18)11-14-8-4-2-3-5-9-14/h13-14H,2-12H2,1H3,(H,17,18)
InChIKeyGCWKSLMDXBYYKU-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
2-cyclohexyl-N-octylacetamide
CID 3547359
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
3-cyclohexyl-N-(5-hydroxy-4-methylpentyl)propanamide
CID 113340801
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
N-(4-chloropentyl)-2-(thian-4-yl)acetamide
CID 106129807
N-(2-chloroethyl)-2-cyclobutylacetamide
CID 103164388
N-(5-chloro-4-methylpentyl)-3-methylpentanamide
CID 106157142
2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111095546
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide (CID 106157136) is N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide is CC(CCl)CCCNC(=O)CC1CCCCCC1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide?
The InChIKey is GCWKSLMDXBYYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-13(12-16)7-6-10-17-15(18)11-14-8-4-2-3-5-9-14/h13-14H,2-12H2,1H3,(H,17,18).
What are the key properties of N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide?
N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide has a molecular weight of 273.85 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide is sourced from PubChem (CID 106157136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).