N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide

C17H28N2O — CID 43425172

IUPACN,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide
SMILESCCN(CC)C(=O)C(C)NC(C)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-19(6-2)17(20)15(4)18-14(3)12-13-16-10-8-7-9-11-16/h7-11,14-15,18H,5-6,12-13H2,1-4H3
InChIKeyLBZDAIPMBALUNK-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.85
Rot. Bonds8

About N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide

N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide (PubChem CID 43425172) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide
PubChem CID43425172
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide
SMILESCCN(CC)C(=O)C(C)NC(C)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-19(6-2)17(20)15(4)18-14(3)12-13-16-10-8-7-9-11-16/h7-11,14-15,18H,5-6,12-13H2,1-4H3
InChIKeyLBZDAIPMBALUNK-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-(pentan-2-ylamino)propanamide
CID 43113164
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
2-chloro-N,N-diethyl-4-phenylbutanamide
CID 62880249
N-(ethylcarbamoyl)-2-(4-phenylbutan-2-ylamino)propanamide
CID 60638721
2-(4-phenylbutan-2-ylamino)butanoic acid
CID 64669361
N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 43425569
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 62996918
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide?
The IUPAC name of N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide (CID 43425172) is N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide.
What is the SMILES notation for N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide?
The canonical SMILES for N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide is CCN(CC)C(=O)C(C)NC(C)CCc1ccccc1.
What is the InChIKey of N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide?
The InChIKey is LBZDAIPMBALUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-19(6-2)17(20)15(4)18-14(3)12-13-16-10-8-7-9-11-16/h7-11,14-15,18H,5-6,12-13H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide?
N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide has a molecular weight of 276.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide is sourced from PubChem (CID 43425172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).