N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide

C14H20N2O3 — CID 110486069

IUPACN-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1cccc(C(=O)NCCCNC=O)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,19)12-6-3-5-11(9-12)13(18)16-8-4-7-15-10-17/h3,5-6,9-10,19H,4,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyAZLABTONZQCFIX-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.78
Rot. Bonds7

About N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide

N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide (PubChem CID 110486069) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide
PubChem CID110486069
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1cccc(C(=O)NCCCNC=O)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,19)12-6-3-5-11(9-12)13(18)16-8-4-7-15-10-17/h3,5-6,9-10,19H,4,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyAZLABTONZQCFIX-UHFFFAOYSA-N
XLogP0.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
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

N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486103
3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
CID 110486052
3-(aminomethyl)-N-(3-formamidopropyl)benzamide
CID 82547191
(1-benzylpiperidin-4-yl)methyl 2-[3-(3-formamidopropylcarbamoyl)phenyl]-2-hydroxy-2-phenylacetate
CID 145136063
N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110464682
N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486080
3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide
CID 134167211
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485916
3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110486058
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide (CID 110486069) is N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide is CC(C)(O)c1cccc(C(=O)NCCCNC=O)c1.
What is the InChIKey of N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is AZLABTONZQCFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,19)12-6-3-5-11(9-12)13(18)16-8-4-7-15-10-17/h3,5-6,9-10,19H,4,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide?
N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 110486069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).