3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide

C17H26N2O3 — CID 108573551

IUPAC3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)13-16(21)19-11-10-18-15(20)9-12-22-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDSSMSDVCUXJNOL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.12
Rot. Bonds8

About 3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide

3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide (PubChem CID 108573551) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
PubChem CID108573551
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)13-16(21)19-11-10-18-15(20)9-12-22-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDSSMSDVCUXJNOL-UHFFFAOYSA-N
XLogP2.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.12
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

N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
N-[2-(dimethylamino)-2-methylpropyl]-3-phenoxypropanamide
CID 112504871
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
CID 106139517

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide (CID 108573551) is 3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide is CC(C)(C)CC(=O)NCCNC(=O)CCOc1ccccc1.
What is the InChIKey of 3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide?
The InChIKey is DSSMSDVCUXJNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)13-16(21)19-11-10-18-15(20)9-12-22-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide?
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide is sourced from PubChem (CID 108573551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).