N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide

C23H34N2O3 — CID 54651429

IUPACN-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide
SMILESCCC(=O)N(CC(C)C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1
InChIInChI=1S/C23H34N2O3/c1-4-21(27)24(13-16(2)3)14-19-22(17-9-6-5-7-10-17)20(15-26)25(19)23(28)18-11-8-12-18/h5-7,9-10,16,18-20,22,26H,4,8,11-15H2,1-3H3/t19-,20+,22-/m0/s1
InChIKeyWJFNXVHTYUOYSG-VWPQPMDRSA-N
MW386.54 g/mol
LogP3.04
Rot. Bonds8

About N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide

N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide (PubChem CID 54651429) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide
PubChem CID54651429
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide
SMILESCCC(=O)N(CC(C)C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1
InChIInChI=1S/C23H34N2O3/c1-4-21(27)24(13-16(2)3)14-19-22(17-9-6-5-7-10-17)20(15-26)25(19)23(28)18-11-8-12-18/h5-7,9-10,16,18-20,22,26H,4,8,11-15H2,1-3H3/t19-,20+,22-/m0/s1
InChIKeyWJFNXVHTYUOYSG-VWPQPMDRSA-N
XLogP3.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethylpropanamide
CID 54651580
3-cyclopentyl-1-[[(2S,3R,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-1-ethylurea
CID 54652015
N-[[(2S,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide
CID 54652270
N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(cyclobutylmethyl)-2-(dimethylamino)acetamide
CID 54651567
N-[[(2R,3S,4S)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 54652265
1-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-3-cyclopentyl-1-ethylurea
CID 54651269
N-[[(2S,3S,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
CID 54651624
N-[[(2R,3S,4S)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-ethylacetamide
CID 54651689
(2R,3S,4S)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
CID 54649892
1-cyclopentyl-3-[[(2R,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]urea
CID 54651481
N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide
CID 54651921
N-[[(2S,3R,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-cyclopropyl-N-methylacetamide
CID 54652209

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide (CID 54651429) is N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide is CCC(=O)N(CC(C)C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1.
What is the InChIKey of N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide?
The InChIKey is WJFNXVHTYUOYSG-VWPQPMDRSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-4-21(27)24(13-16(2)3)14-19-22(17-9-6-5-7-10-17)20(15-26)25(19)23(28)18-11-8-12-18/h5-7,9-10,16,18-20,22,26H,4,8,11-15H2,1-3H3/t19-,20+,22-/m0/s1.
What are the key properties of N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide?
N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide has a molecular weight of 386.54 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4S)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 54651429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).