cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate

C19H36N2O3 — CID 140551041

IUPACcyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate
SMILESCC(C)CC(C)CCC(=O)NCCNC(=O)OCC1CCCCC1
InChIInChI=1S/C19H36N2O3/c1-15(2)13-16(3)9-10-18(22)20-11-12-21-19(23)24-14-17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDNYNEQWJJBJALJ-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.87
Rot. Bonds10

About cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate

cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate (PubChem CID 140551041) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate
PubChem CID140551041
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Namecyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate
SMILESCC(C)CC(C)CCC(=O)NCCNC(=O)OCC1CCCCC1
InChIInChI=1S/C19H36N2O3/c1-15(2)13-16(3)9-10-18(22)20-11-12-21-19(23)24-14-17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDNYNEQWJJBJALJ-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cycloheptylmethyl N-methylcarbamate
CID 57322822
2-(cyclohexylmethoxycarbonylamino)acetic acid
CID 66620693
methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate
CID 114282489
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365
3-cyclohexyl-N-(5-hydroxy-4-methylpentyl)propanamide
CID 113340801
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
4-O-(cyclohexylmethyl) 1-O-(4-methylpentyl) butanedioate
CID 91701965
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate?
The IUPAC name of cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate (CID 140551041) is cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate.
What is the SMILES notation for cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate?
The canonical SMILES for cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate is CC(C)CC(C)CCC(=O)NCCNC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate?
The InChIKey is DNYNEQWJJBJALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-15(2)13-16(3)9-10-18(22)20-11-12-21-19(23)24-14-17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate?
cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate has a molecular weight of 340.51 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate is sourced from PubChem (CID 140551041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).