2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane

C14H31N3O4 — CID 144530873

IUPAC2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane
SMILESCC.CC(=O)NCCCC(C)N.CC(=O)NCCOC=O
InChIInChI=1S/C7H16N2O.C5H9NO3.C2H6/c1-6(8)4-3-5-9-7(2)10;1-5(8)6-2-3-9-4-7;1-2/h6H,3-5,8H2,1-2H3,(H,9,10);4H,2-3H2,1H3,(H,6,8);1-2H3
InChIKeyJTLHZMHYVKVPEV-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.57
Rot. Bonds8

About 2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane

2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane (PubChem CID 144530873) has the molecular formula C14H31N3O4 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane.

Molecular Properties

Compound Name2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane
PubChem CID144530873
Molecular FormulaC14H31N3O4
Molecular Weight305.42 g/mol
Exact Mass305.23
IUPAC Name2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane
SMILESCC.CC(=O)NCCCC(C)N.CC(=O)NCCOC=O
InChIInChI=1S/C7H16N2O.C5H9NO3.C2H6/c1-6(8)4-3-5-9-7(2)10;1-5(8)6-2-3-9-4-7;1-2/h6H,3-5,8H2,1-2H3,(H,9,10);4H,2-3H2,1H3,(H,6,8);1-2H3
InChIKeyJTLHZMHYVKVPEV-UHFFFAOYSA-N
XLogP0.57
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminopentyl)-2-methoxypropanamide
CID 106122458
N-(5-bromo-4-methylpentyl)acetamide
CID 106157555
4-(2-acetamidoethoxy)-2-aminobut-3-enoic acid
CID 54425820
N-(4-aminopentyl)-2-ethoxyacetamide
CID 106122279
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422
N-[3-(3-methylbutylamino)propyl]acetamide
CID 82364861
N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
CID 134583654
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide
CID 158348499

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane?
The IUPAC name of 2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane (CID 144530873) is 2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane.
What is the SMILES notation for 2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane?
The canonical SMILES for 2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane is CC.CC(=O)NCCCC(C)N.CC(=O)NCCOC=O.
What is the InChIKey of 2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane?
The InChIKey is JTLHZMHYVKVPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C5H9NO3.C2H6/c1-6(8)4-3-5-9-7(2)10;1-5(8)6-2-3-9-4-7;1-2/h6H,3-5,8H2,1-2H3,(H,9,10);4H,2-3H2,1H3,(H,6,8);1-2H3.
What are the key properties of 2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane?
2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane has a molecular weight of 305.42 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl formate;N-(4-aminopentyl)acetamide;ethane is sourced from PubChem (CID 144530873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).