3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide

C18H30N2O — CID 120652975

IUPAC3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-19-14(2)13-20-17(21)12-9-15-7-10-16(11-8-15)18(3,4)5/h7-8,10-11,14,19H,6,9,12-13H2,1-5H3,(H,20,21)/t14-/m1/s1
InChIKeyNKAHECGLGAGOAZ-CQSZACIVSA-N
MW290.45 g/mol
LogP3.03
Rot. Bonds7

About 3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide

3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide (PubChem CID 120652975) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
PubChem CID120652975
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-19-14(2)13-20-17(21)12-9-15-7-10-16(11-8-15)18(3,4)5/h7-8,10-11,14,19H,6,9,12-13H2,1-5H3,(H,20,21)/t14-/m1/s1
InChIKeyNKAHECGLGAGOAZ-CQSZACIVSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)pentanamide
CID 120651415
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120654006
3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301786
N-[(2R)-2-(ethylamino)propyl]-4-(4-methoxyphenyl)butanamide
CID 120652211
3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653201
4-(4-tert-butylphenyl)-N-ethylbutan-2-amine
CID 60995834
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-2-ylpropanamide
CID 120655245
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654083
1-(4-tert-butylphenyl)-4-(ethylamino)pentan-2-one
CID 116566765
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652311

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide (CID 120652975) is 3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide is CCN[C@H](C)CNC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The InChIKey is NKAHECGLGAGOAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-19-14(2)13-20-17(21)12-9-15-7-10-16(11-8-15)18(3,4)5/h7-8,10-11,14,19H,6,9,12-13H2,1-5H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide has a molecular weight of 290.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide is sourced from PubChem (CID 120652975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).