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

C26H34N2O3 — CID 98634563

IUPACN-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC2CC2)C[C@@H]2CN(C[C@@H](O)Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C26H34N2O3/c1-20-7-11-23(12-8-20)26(30)28(16-22-9-10-22)19-25-18-27(13-14-31-25)17-24(29)15-21-5-3-2-4-6-21/h2-8,11-12,22,24-25,29H,9-10,13-19H2,1H3/t24-,25-/m0/s1
InChIKeyVWPHGRZTSBAFER-DQEYMECFSA-N
MW422.57 g/mol
LogP3.15
Rot. Bonds9

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

N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide (PubChem CID 98634563) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
PubChem CID98634563
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC2CC2)C[C@@H]2CN(C[C@@H](O)Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C26H34N2O3/c1-20-7-11-23(12-8-20)26(30)28(16-22-9-10-22)19-25-18-27(13-14-31-25)17-24(29)15-21-5-3-2-4-6-21/h2-8,11-12,22,24-25,29H,9-10,13-19H2,1H3/t24-,25-/m0/s1
InChIKeyVWPHGRZTSBAFER-DQEYMECFSA-N
XLogP3.15
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide
CID 92989640
N-(cyclopropylmethyl)-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862392
N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 46060301
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 100900073
N-cyclopentyl-N-[[4-(2-hydroxy-3-phenylmethoxypropyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862417
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862249
N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060141
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 92989665
3-fluoro-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46060194
N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862421
N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42862225

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide (CID 98634563) is N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2CN(C[C@@H](O)Cc3ccccc3)CCO2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide?
The InChIKey is VWPHGRZTSBAFER-DQEYMECFSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-20-7-11-23(12-8-20)26(30)28(16-22-9-10-22)19-25-18-27(13-14-31-25)17-24(29)15-21-5-3-2-4-6-21/h2-8,11-12,22,24-25,29H,9-10,13-19H2,1H3/t24-,25-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide?
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide has a molecular weight of 422.57 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 98634563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).