3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

C18H27NO2 — CID 110416896

IUPAC3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NCC2(CO)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-17(2,3)15-7-4-14(5-8-15)6-9-16(21)19-12-18(13-20)10-11-18/h4-5,7-8,20H,6,9-13H2,1-3H3,(H,19,21)
InChIKeySYIYNQXJNHALJE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.81
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (PubChem CID 110416896) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
PubChem CID110416896
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NCC2(CO)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-17(2,3)15-7-4-14(5-8-15)6-9-16(21)19-12-18(13-20)10-11-18/h4-5,7-8,20H,6,9-13H2,1-3H3,(H,19,21)
InChIKeySYIYNQXJNHALJE-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
3-(4-tert-butylphenyl)-N-[(4-hydroxythian-4-yl)methyl]propanamide
CID 111484716
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
3-(4-tert-butylphenyl)sulfonyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide
CID 110631615
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 91954466
3-(4-tert-butylphenyl)-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]propanamide
CID 110369819
3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301786
4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717510
5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110310181

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (CID 110416896) is 3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is CC(C)(C)c1ccc(CCC(=O)NCC2(CO)CC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The InChIKey is SYIYNQXJNHALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2,3)15-7-4-14(5-8-15)6-9-16(21)19-12-18(13-20)10-11-18/h4-5,7-8,20H,6,9-13H2,1-3H3,(H,19,21).
What are the key properties of 3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.81, 6 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-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 110416896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).