3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide

C12H26N2O2 — CID 106112047

IUPAC3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide
SMILESCCCCN(C(=O)C(CN)OC)C(C)CC
InChIInChI=1S/C12H26N2O2/c1-5-7-8-14(10(3)6-2)12(15)11(9-13)16-4/h10-11H,5-9,13H2,1-4H3
InChIKeyBKBKBHVQDBCWSY-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.39
Rot. Bonds8

About 3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide

3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide (PubChem CID 106112047) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide
PubChem CID106112047
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide
SMILESCCCCN(C(=O)C(CN)OC)C(C)CC
InChIInChI=1S/C12H26N2O2/c1-5-7-8-14(10(3)6-2)12(15)11(9-13)16-4/h10-11H,5-9,13H2,1-4H3
InChIKeyBKBKBHVQDBCWSY-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 60948518
(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 79012967
(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
CID 107568931
3-amino-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 106112070
ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate
CID 106112261
3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methoxypropanamide
CID 106111983
N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide
CID 112687224
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76923560
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
CID 65269662

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide (CID 106112047) is 3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide is CCCCN(C(=O)C(CN)OC)C(C)CC.
What is the InChIKey of 3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide?
The InChIKey is BKBKBHVQDBCWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-7-8-14(10(3)6-2)12(15)11(9-13)16-4/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide?
3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide is sourced from PubChem (CID 106112047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).