N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide

C15H22N2O3 — CID 110464682

IUPACN-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)NCCCNC=O)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-13-7-5-12(6-8-13)14(19)17-10-4-9-16-11-18/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPSQWYHMFGAJCMG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds7

About N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide

N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 110464682) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID110464682
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)NCCCNC=O)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-13-7-5-12(6-8-13)14(19)17-10-4-9-16-11-18/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPSQWYHMFGAJCMG-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
CID 21452884
tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate
CID 166946744
N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486069
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
N-(7,7-dimethyloctyl)-4-methoxybenzamide
CID 168820142
N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859470
[11-[[4-(1,1-difluoroethoxy)benzoyl]amino]undecyl-hydroxyphosphanyl]methylphosphonous acid
CID 142810637
4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110464679
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
4-(2-fluoropropan-2-yloxy)-N-(2-hydroxyethyl)benzamide
CID 167046526

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide (CID 110464682) is N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide is CC(C)(C)Oc1ccc(C(=O)NCCCNC=O)cc1.
What is the InChIKey of N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is PSQWYHMFGAJCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-13-7-5-12(6-8-13)14(19)17-10-4-9-16-11-18/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 110464682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).