4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide

C19H23NO3 — CID 4825822

IUPAC4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-15(2)22-14-6-13-20-19(21)16-9-11-18(12-10-16)23-17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,21)
InChIKeyKRWMKKFAHFETFC-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.02
Rot. Bonds8

About 4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide

4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 4825822) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID4825822
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-15(2)22-14-6-13-20-19(21)16-9-11-18(12-10-16)23-17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,21)
InChIKeyKRWMKKFAHFETFC-UHFFFAOYSA-N
XLogP4.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
tert-butyl-[3-[(4-phenoxybenzoyl)amino]propyl]azanium
CID 9089830
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
N-[3-(2-aminoethyldisulfanyl)propyl]-4-phenoxybenzamide
CID 126700378

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide (CID 4825822) is 4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is KRWMKKFAHFETFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15(2)22-14-6-13-20-19(21)16-9-11-18(12-10-16)23-17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,21).
What are the key properties of 4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide?
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 313.40 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 4825822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).