N-[(2R)-1-butoxypropan-2-yl]benzamide

C14H21NO2 — CID 164674698

IUPACN-[(2R)-1-butoxypropan-2-yl]benzamide
SMILESCCCCOC[C@@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-4-10-17-11-12(2)15-14(16)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyNSADYPCELPBJOG-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds7

About N-[(2R)-1-butoxypropan-2-yl]benzamide

N-[(2R)-1-butoxypropan-2-yl]benzamide (PubChem CID 164674698) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2R)-1-butoxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-butoxypropan-2-yl]benzamide
PubChem CID164674698
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2R)-1-butoxypropan-2-yl]benzamide
SMILESCCCCOC[C@@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-4-10-17-11-12(2)15-14(16)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyNSADYPCELPBJOG-GFCCVEGCSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
butyl (2S)-2-benzamidopropanoate
CID 14654754
butyl 2-benzamidopropanoate
CID 14654753
butyl (2S,3R)-2-benzamido-3-hydroxybutanoate
CID 101068173
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate
CID 146469280
propyl 2-benzamidopropanoate
CID 71628004
3-benzamidobutyl benzoate
CID 151154190
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-butoxypropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-butoxypropan-2-yl]benzamide (CID 164674698) is N-[(2R)-1-butoxypropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-butoxypropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-butoxypropan-2-yl]benzamide is CCCCOC[C@@H](C)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-1-butoxypropan-2-yl]benzamide?
The InChIKey is NSADYPCELPBJOG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-10-17-11-12(2)15-14(16)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-butoxypropan-2-yl]benzamide?
N-[(2R)-1-butoxypropan-2-yl]benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-butoxypropan-2-yl]benzamide is sourced from PubChem (CID 164674698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).