4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide

C14H26N2O3 — CID 54873321

IUPAC4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide
SMILESNCCCC(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C14H26N2O3/c15-7-1-6-14(17)16(10-12-4-2-8-18-12)11-13-5-3-9-19-13/h12-13H,1-11,15H2
InChIKeyBTSQKXKAXIYTHG-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.91
Rot. Bonds7

About 4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide

4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide (PubChem CID 54873321) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide
PubChem CID54873321
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide
SMILESNCCCC(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C14H26N2O3/c15-7-1-6-14(17)16(10-12-4-2-8-18-12)11-13-5-3-9-19-13/h12-13H,1-11,15H2
InChIKeyBTSQKXKAXIYTHG-UHFFFAOYSA-N
XLogP0.91
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 82850780
6-amino-N-ethyl-4,4-dimethyl-N-(oxolan-2-ylmethyl)hexanamide
CID 65292320
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794
4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide
CID 80543187
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319
3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 119336162
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide (CID 54873321) is 4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide is NCCCC(=O)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide?
The InChIKey is BTSQKXKAXIYTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-7-1-6-14(17)16(10-12-4-2-8-18-12)11-13-5-3-9-19-13/h12-13H,1-11,15H2.
What are the key properties of 4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide?
4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide has a molecular weight of 270.37 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 54873321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).