N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide

C12H24N2O3 — CID 108574166

IUPACN-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
SMILESCOCCC(=O)NCCNC(=O)CC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-12(2,3)9-11(16)14-7-6-13-10(15)5-8-17-4/h5-9H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyODVPDSYTEIKGKX-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.69
Rot. Bonds7

About N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide

N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide (PubChem CID 108574166) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
PubChem CID108574166
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
SMILESCOCCC(=O)NCCNC(=O)CC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-12(2,3)9-11(16)14-7-6-13-10(15)5-8-17-4/h5-9H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyODVPDSYTEIKGKX-UHFFFAOYSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.69
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

3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017
tert-butyl N-[2-[2-(3-methoxypropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537162
N'-tert-butyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]butanediamide
CID 134443497
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
methane;3-methoxy-N-(3-oxopropyl)propanamide
CID 160698197
N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
CID 108538534
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-(2-methoxyethoxy)propanamide
CID 59805161
tert-butyl 2-(3-methoxypropanoylamino)acetate
CID 173312753
methane;3-methoxy-N-pentylpropanamide
CID 157319265

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide (CID 108574166) is N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide is COCCC(=O)NCCNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide?
The InChIKey is ODVPDSYTEIKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)9-11(16)14-7-6-13-10(15)5-8-17-4/h5-9H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide?
N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide has a molecular weight of 244.33 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 108574166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).