2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide

C16H32N2O2 — CID 79853666

IUPAC2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide
SMILESCCCCCCCN(CCCO)C(=O)CC1(N)CCC1
InChIInChI=1S/C16H32N2O2/c1-2-3-4-5-6-11-18(12-8-13-19)15(20)14-16(17)9-7-10-16/h19H,2-14,17H2,1H3
InChIKeyUJKFCKBPBUQKFS-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.44
Rot. Bonds11

About 2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide

2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide (PubChem CID 79853666) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide
PubChem CID79853666
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide
SMILESCCCCCCCN(CCCO)C(=O)CC1(N)CCC1
InChIInChI=1S/C16H32N2O2/c1-2-3-4-5-6-11-18(12-8-13-19)15(20)14-16(17)9-7-10-16/h19H,2-14,17H2,1H3
InChIKeyUJKFCKBPBUQKFS-UHFFFAOYSA-N
XLogP2.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.44
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

1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 60953140
2-(1-aminocyclobutyl)-N,N-bis(2-ethoxyethyl)acetamide
CID 82966068
2-(1-aminocyclopentyl)-N-ethyl-N-propylacetamide
CID 64684374
1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 115435070
2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide
CID 64686254
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
CID 54874426
2-(1-aminocyclopentyl)-N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102993147
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193
2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide
CID 64685530
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
CID 102992933

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide (CID 79853666) is 2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide is CCCCCCCN(CCCO)C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is UJKFCKBPBUQKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-3-4-5-6-11-18(12-8-13-19)15(20)14-16(17)9-7-10-16/h19H,2-14,17H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide?
2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 284.44 g/mol, XLogP of 2.44, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 79853666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).