2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide

C16H32N2O3 — CID 82940425

IUPAC2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide
SMILESCCOCCN(CCOCC)C(=O)CC1CCCCC1N
InChIInChI=1S/C16H32N2O3/c1-3-20-11-9-18(10-12-21-4-2)16(19)13-14-7-5-6-8-15(14)17/h14-15H,3-13,17H2,1-2H3
InChIKeyKQHBMPOWMFZSHD-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.80
Rot. Bonds10

About 2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide

2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide (PubChem CID 82940425) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide
PubChem CID82940425
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide
SMILESCCOCCN(CCOCC)C(=O)CC1CCCCC1N
InChIInChI=1S/C16H32N2O3/c1-3-20-11-9-18(10-12-21-4-2)16(19)13-14-7-5-6-8-15(14)17/h14-15H,3-13,17H2,1-2H3
InChIKeyKQHBMPOWMFZSHD-UHFFFAOYSA-N
XLogP1.80
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide
CID 81074508
2-(2-aminocyclohexyl)-N,N-dibutylacetamide
CID 62781493
2-(2-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 62781778
2-(2-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781478
4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82960257
2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 62783083
2-[2-[bis(2-ethoxyethyl)amino]ethyl]cyclopentan-1-amine
CID 82965281
2-(2-aminocyclohexyl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide
CID 62781924
2-(2-aminocyclohexyl)-N-methyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81074151
2-(2-aminocyclohexyl)-N-cyclopentyl-N-methylacetamide
CID 62782509
2-(1-aminocyclobutyl)-N,N-bis(2-ethoxyethyl)acetamide
CID 82966068
N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide
CID 64927440

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide?
The IUPAC name of 2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide (CID 82940425) is 2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide.
What is the SMILES notation for 2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide?
The canonical SMILES for 2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide is CCOCCN(CCOCC)C(=O)CC1CCCCC1N.
What is the InChIKey of 2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide?
The InChIKey is KQHBMPOWMFZSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-3-20-11-9-18(10-12-21-4-2)16(19)13-14-7-5-6-8-15(14)17/h14-15H,3-13,17H2,1-2H3.
What are the key properties of 2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide?
2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide has a molecular weight of 300.44 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide is sourced from PubChem (CID 82940425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).