N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide

C15H29NO2 — CID 118970784

IUPACN-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide
SMILESCOCCCN(C(=O)CC(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-13(2)12-15(17)16(10-7-11-18-3)14-8-5-4-6-9-14/h13-14H,4-12H2,1-3H3
InChIKeyPSSFSMHCPAMYPW-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.23
Rot. Bonds7

About N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide

N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide (PubChem CID 118970784) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide
PubChem CID118970784
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide
SMILESCOCCCN(C(=O)CC(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-13(2)12-15(17)16(10-7-11-18-3)14-8-5-4-6-9-14/h13-14H,4-12H2,1-3H3
InChIKeyPSSFSMHCPAMYPW-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-ethyl-3-methylbutanamide
CID 670174
N-cyclohexyl-N-ethyl-2-methylpropanamide
CID 669245
N-cyclohexyl-2-methyl-N-methylpropanamide
CID 669249
Methyl 3-[acetyl(cyclohexyl)amino]-2-methylpropanoate
CID 13496247
N-cyclohexyl-2-fluoro-4-methoxy-N,2-dimethylbutanamide
CID 161884241
N-cyclohexyl-3-ethoxy-N-ethylpropanamide
CID 2976102
N-cyclohexyl-2-ethyl-N-methylbutanamide
CID 24284930
N-cyclohexyl-N,3-dimethylbutanamide
CID 13061418
N-cyclohexyl-N,2-dimethylbutanamide
CID 51112447
N-cyclohexyl-N-(methoxymethyl)acetamide
CID 59092869
1-Cyclohexyl-4-methoxymethyl-pyrrolidin-2-one
CID 59299526
N-cyclohexyl-2-methyl-N-(3-methylbutyl)propanamide
CID 59340355

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide?
The IUPAC name of N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide (CID 118970784) is N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide?
The canonical SMILES for N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide is COCCCN(C(=O)CC(C)C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide?
The InChIKey is PSSFSMHCPAMYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2)12-15(17)16(10-7-11-18-3)14-8-5-4-6-9-14/h13-14H,4-12H2,1-3H3.
What are the key properties of N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide?
N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide has a molecular weight of 255.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(3-methoxypropyl)-3-methylbutanamide is sourced from PubChem (CID 118970784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).