N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide

C28H49NO3 — CID 139715444

IUPACN-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
SMILESCC(C)CCCCCCCCCCCCCCCOc1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C28H49NO3/c1-25(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-24-32-27-20-18-26(19-21-27)28(31)29-22-16-23-30/h18-21,25,30H,3-17,22-24H2,1-2H3,(H,29,31)
InChIKeySDRBRNGIENNCRO-UHFFFAOYSA-N
MW447.70 g/mol
LogP7.30
Rot. Bonds21

About N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide

N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide (PubChem CID 139715444) has the molecular formula C28H49NO3 and a molecular weight of 447.70 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
PubChem CID139715444
Molecular FormulaC28H49NO3
Molecular Weight447.70 g/mol
Exact Mass447.37
IUPAC NameN-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
SMILESCC(C)CCCCCCCCCCCCCCCOc1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C28H49NO3/c1-25(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-24-32-27-20-18-26(19-21-27)28(31)29-22-16-23-30/h18-21,25,30H,3-17,22-24H2,1-2H3,(H,29,31)
InChIKeySDRBRNGIENNCRO-UHFFFAOYSA-N
XLogP7.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.70
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
3-[[4-(16-methylheptadecoxy)benzoyl]amino]propanoic acid
CID 139715406
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
3-[[4-[7-[4-(4-methylpentoxy)phenoxy]heptyl]benzoyl]amino]propanoic acid
CID 67485973
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
CID 119507309
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
4-(4-methylpentoxy)benzoic acid
CID 22645282
N-butyl-4-propoxybenzamide
CID 17142951

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide (CID 139715444) is N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide is CC(C)CCCCCCCCCCCCCCCOc1ccc(C(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide?
The InChIKey is SDRBRNGIENNCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49NO3/c1-25(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-24-32-27-20-18-26(19-21-27)28(31)29-22-16-23-30/h18-21,25,30H,3-17,22-24H2,1-2H3,(H,29,31).
What are the key properties of N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide?
N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide has a molecular weight of 447.70 g/mol, XLogP of 7.30, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide is sourced from PubChem (CID 139715444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).