N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide

C19H29NO3 — CID 95973529

IUPACN-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c1
InChIInChI=1S/C19H29NO3/c1-4-10-22-17-9-5-7-15(12-17)19(21)20-13-16-8-6-11-23-18(16)14(2)3/h5,7,9,12,14,16,18H,4,6,8,10-11,13H2,1-3H3,(H,20,21)/t16-,18+/m0/s1
InChIKeyYZIXVMBPKBUQIP-FUHWJXTLSA-N
MW319.45 g/mol
LogP3.66
Rot. Bonds7

About N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide

N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide (PubChem CID 95973529) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide
PubChem CID95973529
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC NameN-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c1
InChIInChI=1S/C19H29NO3/c1-4-10-22-17-9-5-7-15(12-17)19(21)20-13-16-8-6-11-23-18(16)14(2)3/h5,7,9,12,14,16,18H,4,6,8,10-11,13H2,1-3H3,(H,20,21)/t16-,18+/m0/s1
InChIKeyYZIXVMBPKBUQIP-FUHWJXTLSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-propoxybenzamide
CID 94890572
trans-(1S,2R)-2-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732264
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
4-oxo-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 99814346
4-oxo-N-[[(2S,3R)-2-propan-2-yloxan-3-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 99814347
3-butoxy-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 4957060

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide?
The IUPAC name of N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide (CID 95973529) is N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide.
What is the SMILES notation for N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide?
The canonical SMILES for N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c1.
What is the InChIKey of N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide?
The InChIKey is YZIXVMBPKBUQIP-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-10-22-17-9-5-7-15(12-17)19(21)20-13-16-8-6-11-23-18(16)14(2)3/h5,7,9,12,14,16,18H,4,6,8,10-11,13H2,1-3H3,(H,20,21)/t16-,18+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide?
N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide has a molecular weight of 319.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide is sourced from PubChem (CID 95973529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).