N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide

C19H34N2O5 — CID 169158949

IUPACN-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
SMILESCCC(=O)C1CCC(NC(=O)CNC(=O)CCOCCOC(C)C)CC1
InChIInChI=1S/C19H34N2O5/c1-4-17(22)15-5-7-16(8-6-15)21-19(24)13-20-18(23)9-10-25-11-12-26-14(2)3/h14-16H,4-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCABBQHXYONNGQB-UHFFFAOYSA-N
MW370.49 g/mol
LogP1.59
Rot. Bonds12

About N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide

N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide (PubChem CID 169158949) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
PubChem CID169158949
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC NameN-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
SMILESCCC(=O)C1CCC(NC(=O)CNC(=O)CCOCCOC(C)C)CC1
InChIInChI=1S/C19H34N2O5/c1-4-17(22)15-5-7-16(8-6-15)21-19(24)13-20-18(23)9-10-25-11-12-26-14(2)3/h14-16H,4-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCABBQHXYONNGQB-UHFFFAOYSA-N
XLogP1.59
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169158637
ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 177357306
N-cyclopropyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 60697253
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide
CID 178126244
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
CID 167464210
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide
CID 169159604
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
molecular hydrogen;N-[2-oxo-2-[2-(2-oxobutoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 167464435
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide?
The IUPAC name of N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide (CID 169158949) is N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide.
What is the SMILES notation for N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide?
The canonical SMILES for N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide is CCC(=O)C1CCC(NC(=O)CNC(=O)CCOCCOC(C)C)CC1.
What is the InChIKey of N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide?
The InChIKey is CABBQHXYONNGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-4-17(22)15-5-7-16(8-6-15)21-19(24)13-20-18(23)9-10-25-11-12-26-14(2)3/h14-16H,4-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide?
N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide has a molecular weight of 370.49 g/mol, XLogP of 1.59, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide is sourced from PubChem (CID 169158949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).