carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide

C15H21NO4 — CID 157229894

IUPACcarbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide
SMILESCC(C)Cc1cccc(C(=O)NCCCO)c1.O=C=O
InChIInChI=1S/C14H21NO2.CO2/c1-11(2)9-12-5-3-6-13(10-12)14(17)15-7-4-8-16;2-1-3/h3,5-6,10-11,16H,4,7-9H2,1-2H3,(H,15,17);
InChIKeyATZCFUPYJBYIKD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.41
Rot. Bonds6

About carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide

carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide (PubChem CID 157229894) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide.

Molecular Properties

Compound Namecarbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide
PubChem CID157229894
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namecarbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide
SMILESCC(C)Cc1cccc(C(=O)NCCCO)c1.O=C=O
InChIInChI=1S/C14H21NO2.CO2/c1-11(2)9-12-5-3-6-13(10-12)14(17)15-7-4-8-16;2-1-3/h3,5-6,10-11,16H,4,7-9H2,1-2H3,(H,15,17);
InChIKeyATZCFUPYJBYIKD-UHFFFAOYSA-N
XLogP1.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3-bis(2-methylpropyl)benzamide
CID 176945198
N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
N-butyl-3-(4-hydroxybutyl)benzamide
CID 54320849
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
CID 110486052
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
3-(2-methylpropyl)benzamide
CID 23130390
3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
CID 78885620
N-(3-methylphenyl)-3-(2-methylpropyl)benzamide
CID 158758785
3-(chloromethyl)-N-(3-methylsulfonylpropyl)benzamide
CID 54904905
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide?
The IUPAC name of carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide (CID 157229894) is carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide.
What is the SMILES notation for carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide?
The canonical SMILES for carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide is CC(C)Cc1cccc(C(=O)NCCCO)c1.O=C=O.
What is the InChIKey of carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide?
The InChIKey is ATZCFUPYJBYIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.CO2/c1-11(2)9-12-5-3-6-13(10-12)14(17)15-7-4-8-16;2-1-3/h3,5-6,10-11,16H,4,7-9H2,1-2H3,(H,15,17);.
What are the key properties of carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide?
carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide is sourced from PubChem (CID 157229894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).