N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide

C18H28N2O — CID 60866018

IUPACN-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide
SMILESCC(NC(=O)CCNC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(20-17(21)11-12-19-16-9-10-16)14-5-7-15(8-6-14)18(2,3)4/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,21)
InChIKeyVSSNIXRMCMKRPZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.30
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide

N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide (PubChem CID 60866018) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide
PubChem CID60866018
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide
SMILESCC(NC(=O)CCNC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(20-17(21)11-12-19-16-9-10-16)14-5-7-15(8-6-14)18(2,3)4/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,21)
InChIKeyVSSNIXRMCMKRPZ-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylamino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248085
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 60868181
3-(cyclopropylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212808
N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60979759
3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404464
N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide
CID 79198933
3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408603
3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 81400565
2-(cyclopropylamino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 54861999
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
CID 43568343
3-(cyclopropylamino)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 54862156
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide (CID 60866018) is N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide is CC(NC(=O)CCNC1CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide?
The InChIKey is VSSNIXRMCMKRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(20-17(21)11-12-19-16-9-10-16)14-5-7-15(8-6-14)18(2,3)4/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,21).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide?
N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 60866018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).