N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide

C22H28N2O3 — CID 28579988

IUPACN-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCC[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H28N2O3/c1-3-21(18-8-10-20(26-2)11-9-18)23-22(25)19-6-4-17(5-7-19)16-24-12-14-27-15-13-24/h4-11,21H,3,12-16H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyRJJZONYNBFBDGV-NRFANRHFSA-N
MW368.48 g/mol
LogP3.41
Rot. Bonds7

About N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide

N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 28579988) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID28579988
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCC[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H28N2O3/c1-3-21(18-8-10-20(26-2)11-9-18)23-22(25)19-6-4-17(5-7-19)16-24-12-14-27-15-13-24/h4-11,21H,3,12-16H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyRJJZONYNBFBDGV-NRFANRHFSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876464
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60548027
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51490228
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 92677739
4-(azepan-1-ylmethyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 94014174
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 94013067
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide (CID 28579988) is N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide is CC[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is RJJZONYNBFBDGV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-21(18-8-10-20(26-2)11-9-18)23-22(25)19-6-4-17(5-7-19)16-24-12-14-27-15-13-24/h4-11,21H,3,12-16H2,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 28579988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).