2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide

C18H30N2O — CID 43226762

IUPAC2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-11-19-18(21)15(5)20-14(4)17-9-7-16(8-10-17)12-13(2)3/h7-10,13-15,20H,6,11-12H2,1-5H3,(H,19,21)
InChIKeyWNZZCMRFMPQGJJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.45
Rot. Bonds8

About 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide

2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide (PubChem CID 43226762) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
PubChem CID43226762
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-11-19-18(21)15(5)20-14(4)17-9-7-16(8-10-17)12-13(2)3/h7-10,13-15,20H,6,11-12H2,1-5H3,(H,19,21)
InChIKeyWNZZCMRFMPQGJJ-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
CID 43400934
2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 43226780
2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226787
2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide
CID 60674323
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide
CID 62048218
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine
CID 55193146
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 81359950
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide (CID 43226762) is 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide?
The InChIKey is WNZZCMRFMPQGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-11-19-18(21)15(5)20-14(4)17-9-7-16(8-10-17)12-13(2)3/h7-10,13-15,20H,6,11-12H2,1-5H3,(H,19,21).
What are the key properties of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide?
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide has a molecular weight of 290.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide is sourced from PubChem (CID 43226762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).