N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide

C25H31FN2O3 — CID 92989640

IUPACN-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(CC1CC1)C[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CCO1
InChIInChI=1S/C25H31FN2O3/c26-22-10-8-21(9-11-22)25(30)28(15-20-6-7-20)18-24-17-27(12-13-31-24)16-23(29)14-19-4-2-1-3-5-19/h1-5,8-11,20,23-24,29H,6-7,12-18H2/t23-,24-/m0/s1
InChIKeyUZZJONFKYUBXRD-ZEQRLZLVSA-N
MW426.53 g/mol
LogP2.98
Rot. Bonds9

About N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide

N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide (PubChem CID 92989640) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide
PubChem CID92989640
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC NameN-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(CC1CC1)C[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CCO1
InChIInChI=1S/C25H31FN2O3/c26-22-10-8-21(9-11-22)25(30)28(15-20-6-7-20)18-24-17-27(12-13-31-24)16-23(29)14-19-4-2-1-3-5-19/h1-5,8-11,20,23-24,29H,6-7,12-18H2/t23-,24-/m0/s1
InChIKeyUZZJONFKYUBXRD-ZEQRLZLVSA-N
XLogP2.98
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 98634563
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 100900073
N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 46060301
N-(cyclopropylmethyl)-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862392
3-fluoro-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46060194
4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42849374
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 92989665
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060141
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989538
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648
4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862340

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide (CID 92989640) is N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide is O=C(c1ccc(F)cc1)N(CC1CC1)C[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CCO1.
What is the InChIKey of N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide?
The InChIKey is UZZJONFKYUBXRD-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H31FN2O3/c26-22-10-8-21(9-11-22)25(30)28(15-20-6-7-20)18-24-17-27(12-13-31-24)16-23(29)14-19-4-2-1-3-5-19/h1-5,8-11,20,23-24,29H,6-7,12-18H2/t23-,24-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide?
N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide has a molecular weight of 426.53 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 92989640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).