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

C19H26N2O3 — CID 54651329

IUPACN-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1
InChIInChI=1S/C19H26N2O3/c1-2-17(23)20-11-15-18(13-7-4-3-5-8-13)16(12-22)21(15)19(24)14-9-6-10-14/h3-5,7-8,14-16,18,22H,2,6,9-12H2,1H3,(H,20,23)/t15-,16-,18+/m0/s1
InChIKeyUSKATFAIQYPQIB-XYJFISCASA-N
MW330.43 g/mol
LogP1.67
Rot. Bonds6

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

N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide (PubChem CID 54651329) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide
PubChem CID54651329
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1
InChIInChI=1S/C19H26N2O3/c1-2-17(23)20-11-15-18(13-7-4-3-5-8-13)16(12-22)21(15)19(24)14-9-6-10-14/h3-5,7-8,14-16,18,22H,2,6,9-12H2,1H3,(H,20,23)/t15-,16-,18+/m0/s1
InChIKeyUSKATFAIQYPQIB-XYJFISCASA-N
XLogP1.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide with MolForge

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methyl-3-phenylpropanamide
CID 5459524
Ac-Leu-Aib-Leu-Aib-Phe-ol
CID 10483535
Peptaibolin
CID 85155455
Ac-Ile-Ala-Phe-ol
CID 23585936
Ac-Ile-Pro-Phe-ol
CID 23585939
1-[[(2R,3R,4S)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-3-propan-2-ylurea
CID 54651241
N-[[(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
CID 54651290
N-ethyl-N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
CID 54651336
N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
CID 54651381
N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
CID 54651385
N-[[(2S,3R,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 54651943
[(2S,3R,4S)-1-(cyclohexylmethyl)-4-[(propan-2-ylamino)methyl]-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methanol
CID 60182585

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide?
The IUPAC name of N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide (CID 54651329) is N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide is CCC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1.
What is the InChIKey of N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide?
The InChIKey is USKATFAIQYPQIB-XYJFISCASA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-17(23)20-11-15-18(13-7-4-3-5-8-13)16(12-22)21(15)19(24)14-9-6-10-14/h3-5,7-8,14-16,18,22H,2,6,9-12H2,1H3,(H,20,23)/t15-,16-,18+/m0/s1.
What are the key properties of N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide?
N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide has a molecular weight of 330.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R)-1-(cyclobutanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]propanamide is sourced from PubChem (CID 54651329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).