N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide

C16H25NO2 — CID 115532885

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C16H25NO2/c1-3-6-15(7-4-2)16(19)17-11-13-8-5-9-14(10-13)12-18/h5,8-10,15,18H,3-4,6-7,11-12H2,1-2H3,(H,17,19)
InChIKeyWIGVQNZHJWRPRX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.01
Rot. Bonds8

About N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide

N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide (PubChem CID 115532885) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
PubChem CID115532885
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C16H25NO2/c1-3-6-15(7-4-2)16(19)17-11-13-8-5-9-14(10-13)12-18/h5,8-10,15,18H,3-4,6-7,11-12H2,1-2H3,(H,17,19)
InChIKeyWIGVQNZHJWRPRX-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
CID 103810421
N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
CID 82984622
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]pentanamide
CID 65226161
2-acetamido-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 55205235
2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 107218396
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
4-amino-5-[[3-(hydroxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 107218367
2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide
CID 65227942
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide
CID 23876903

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide (CID 115532885) is N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1cccc(CO)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide?
The InChIKey is WIGVQNZHJWRPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-6-15(7-4-2)16(19)17-11-13-8-5-9-14(10-13)12-18/h5,8-10,15,18H,3-4,6-7,11-12H2,1-2H3,(H,17,19).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide has a molecular weight of 263.38 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide is sourced from PubChem (CID 115532885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).