N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide

C19H30N2O3 — CID 51094975

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide
SMILESCC(NC(=O)CCCOCCc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-15(18(23)21-19(2,3)4)20-17(22)11-8-13-24-14-12-16-9-6-5-7-10-16/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyCGNMILHQHYYQPP-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.45
Rot. Bonds9

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide (PubChem CID 51094975) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide
PubChem CID51094975
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide
SMILESCC(NC(=O)CCCOCCc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-15(18(23)21-19(2,3)4)20-17(22)11-8-13-24-14-12-16-9-6-5-7-10-16/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyCGNMILHQHYYQPP-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide with MolForge

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Related Compounds

3-[4-(2-phenylethoxy)butanoylamino]butanoic acid
CID 119220650
3-methyl-3-[4-(2-phenylethoxy)butanoylamino]pentanoic acid
CID 75429166
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 119573465
2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
CID 120609736
2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
CID 119748180
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide
CID 145021408
N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
CID 55821299
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
2-[2-(4-phenylbutanoylamino)acetyl]oxyethyl 2-(4-phenylbutanoylamino)propanoate
CID 146190363
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 115748700
4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 55901621

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide (CID 51094975) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide is CC(NC(=O)CCCOCCc1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide?
The InChIKey is CGNMILHQHYYQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(18(23)21-19(2,3)4)20-17(22)11-8-13-24-14-12-16-9-6-5-7-10-16/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide has a molecular weight of 334.46 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide is sourced from PubChem (CID 51094975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).