N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide

C17H34N2O2 — CID 115574010

IUPACN-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide
SMILESCCC(C)(C)C1CCC(NC(C)C(=O)NCCOC)CC1
InChIInChI=1S/C17H34N2O2/c1-6-17(3,4)14-7-9-15(10-8-14)19-13(2)16(20)18-11-12-21-5/h13-15,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyXIVWCVWPYSCOQG-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.72
Rot. Bonds8

About N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide

N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide (PubChem CID 115574010) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide
PubChem CID115574010
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide
SMILESCCC(C)(C)C1CCC(NC(C)C(=O)NCCOC)CC1
InChIInChI=1S/C17H34N2O2/c1-6-17(3,4)14-7-9-15(10-8-14)19-13(2)16(20)18-11-12-21-5/h13-15,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyXIVWCVWPYSCOQG-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.72
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

N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30738203
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 120983922
N-(2-methoxyethyl)-2-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448750
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide
CID 43086730
N-(3-methoxypropyl)-2-(oxan-4-ylamino)propanamide
CID 43610209
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
CID 102731613
N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 60722361
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 62727193

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide (CID 115574010) is N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide is CCC(C)(C)C1CCC(NC(C)C(=O)NCCOC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide?
The InChIKey is XIVWCVWPYSCOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-17(3,4)14-7-9-15(10-8-14)19-13(2)16(20)18-11-12-21-5/h13-15,19H,6-12H2,1-5H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide?
N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide has a molecular weight of 298.47 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide is sourced from PubChem (CID 115574010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).