N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide

C29H32N2O4 — CID 162074516

IUPACN-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide
SMILESCCC(C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC)N1CCOCC1
InChIInChI=1S/C29H32N2O4/c1-3-26(31-15-17-35-18-16-31)29(33)30-25-20-24(13-14-28(25)34-2)27(32)19-21-9-11-23(12-10-21)22-7-5-4-6-8-22/h4-14,20,26H,3,15-19H2,1-2H3,(H,30,33)
InChIKeyZBNLJKMVQUUNAW-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.84
Rot. Bonds9

About N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide

N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide (PubChem CID 162074516) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide
PubChem CID162074516
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC NameN-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide
SMILESCCC(C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC)N1CCOCC1
InChIInChI=1S/C29H32N2O4/c1-3-26(31-15-17-35-18-16-31)29(33)30-25-20-24(13-14-28(25)34-2)27(32)19-21-9-11-23(12-10-21)22-7-5-4-6-8-22/h4-14,20,26H,3,15-19H2,1-2H3,(H,30,33)
InChIKeyZBNLJKMVQUUNAW-UHFFFAOYSA-N
XLogP4.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxypropoxy)-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylacetamide
CID 161191064
N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 161110649
N-(4-amino-2-methoxyphenyl)-2-morpholin-4-ylbutanamide
CID 82224744
N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide
CID 162238892
N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 148797037
N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide
CID 147906172
N-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4-[2-(4-phenylphenyl)acetyl]benzamide
CID 148814669
N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide
CID 148500321
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide
CID 90458981
2-(4-aminophenyl)-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 119755689
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide?
The IUPAC name of N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide (CID 162074516) is N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide?
The canonical SMILES for N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide is CCC(C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC)N1CCOCC1.
What is the InChIKey of N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide?
The InChIKey is ZBNLJKMVQUUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-3-26(31-15-17-35-18-16-31)29(33)30-25-20-24(13-14-28(25)34-2)27(32)19-21-9-11-23(12-10-21)22-7-5-4-6-8-22/h4-14,20,26H,3,15-19H2,1-2H3,(H,30,33).
What are the key properties of N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide?
N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide has a molecular weight of 472.59 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide is sourced from PubChem (CID 162074516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).