4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide

C22H29N2O3+ — CID 6958043

IUPAC4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-17(2)27-21-10-6-19(7-11-21)22(25)23-20-8-4-18(5-9-20)16-24-12-14-26-15-13-24/h4-11,17H,3,12-16H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1
InChIKeyNTQLRWWGZMZTIV-QGZVFWFLSA-O
MW369.49 g/mol
LogP2.53
Rot. Bonds7

About 4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide

4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide (PubChem CID 6958043) has the molecular formula C22H29N2O3+ and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
PubChem CID6958043
Molecular FormulaC22H29N2O3+
Molecular Weight369.49 g/mol
Exact Mass369.22
IUPAC Name4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-17(2)27-21-10-6-19(7-11-21)22(25)23-20-8-4-18(5-9-20)16-24-12-14-26-15-13-24/h4-11,17H,3,12-16H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1
InChIKeyNTQLRWWGZMZTIV-QGZVFWFLSA-O
XLogP2.53
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046550
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2940925
4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
CID 7372335
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
4-butoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 7312503
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
4-[(2S)-butan-2-yl]oxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 40864770

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide (CID 6958043) is 4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide is CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The InChIKey is NTQLRWWGZMZTIV-QGZVFWFLSA-O. The full InChI is InChI=1S/C22H28N2O3/c1-3-17(2)27-21-10-6-19(7-11-21)22(25)23-20-8-4-18(5-9-20)16-24-12-14-26-15-13-24/h4-11,17H,3,12-16H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 6958043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).