N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide

C17H28N2O — CID 43425569

IUPACN,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC(c1ccccc1)C(C)C
InChIInChI=1S/C17H28N2O/c1-6-19(7-2)17(20)14(5)18-16(13(3)4)15-11-9-8-10-12-15/h8-14,16,18H,6-7H2,1-5H3
InChIKeyNBCCTWKFFSSYIG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.23
Rot. Bonds7

About N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide

N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide (PubChem CID 43425569) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
PubChem CID43425569
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC(c1ccccc1)C(C)C
InChIInChI=1S/C17H28N2O/c1-6-19(7-2)17(20)14(5)18-16(13(3)4)15-11-9-8-10-12-15/h8-14,16,18H,6-7H2,1-5H3
InChIKeyNBCCTWKFFSSYIG-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132466
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide
CID 62878348
N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide
CID 43425172
2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
CID 113292394
2-[(2-methyl-1-phenylpropyl)amino]-N-propan-2-ylpropanamide
CID 112683279
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide
CID 43426627
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide?
The IUPAC name of N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide (CID 43425569) is N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide is CCN(CC)C(=O)C(C)NC(c1ccccc1)C(C)C.
What is the InChIKey of N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide?
The InChIKey is NBCCTWKFFSSYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-19(7-2)17(20)14(5)18-16(13(3)4)15-11-9-8-10-12-15/h8-14,16,18H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide?
N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide is sourced from PubChem (CID 43425569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).