4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

C16H23NO2 — CID 80717510

IUPAC4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESCCCCc1ccc(C(=O)NCC2(CO)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-4-13-5-7-14(8-6-13)15(19)17-11-16(12-18)9-10-16/h5-8,18H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyDJMUJVFIUOGIPO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.53
Rot. Bonds7

About 4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (PubChem CID 80717510) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
PubChem CID80717510
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESCCCCc1ccc(C(=O)NCC2(CO)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-4-13-5-7-14(8-6-13)15(19)17-11-16(12-18)9-10-16/h5-8,18H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyDJMUJVFIUOGIPO-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445142
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
CID 119345529
N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80708473
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(methanesulfonamido)benzamide
CID 80717767
4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103813045
4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106251909
3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 110416896
[1-[(4-pentylanilino)methyl]cyclohexyl]methanol
CID 81400832
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 80712294

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (CID 80717510) is 4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is CCCCc1ccc(C(=O)NCC2(CO)CC2)cc1.
What is the InChIKey of 4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The InChIKey is DJMUJVFIUOGIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-4-13-5-7-14(8-6-13)15(19)17-11-16(12-18)9-10-16/h5-8,18H,2-4,9-12H2,1H3,(H,17,19).
What are the key properties of 4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 80717510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).