N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C27H28N2O4 — CID 18534720

IUPACN-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1cc(C(=O)N2CCCC2)c(-c2ccccc2)c(NC(C)=O)c1OCc1ccccc1
InChIInChI=1S/C27H28N2O4/c1-19(30)28-25-24(21-13-7-4-8-14-21)22(27(31)29-15-9-10-16-29)17-23(32-2)26(25)33-18-20-11-5-3-6-12-20/h3-8,11-14,17H,9-10,15-16,18H2,1-2H3,(H,28,30)
InChIKeyJCURJUCUAFDHRD-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.14
Rot. Bonds7

About N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide

N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 18534720) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID18534720
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1cc(C(=O)N2CCCC2)c(-c2ccccc2)c(NC(C)=O)c1OCc1ccccc1
InChIInChI=1S/C27H28N2O4/c1-19(30)28-25-24(21-13-7-4-8-14-21)22(27(31)29-15-9-10-16-29)17-23(32-2)26(25)33-18-20-11-5-3-6-12-20/h3-8,11-14,17H,9-10,15-16,18H2,1-2H3,(H,28,30)
InChIKeyJCURJUCUAFDHRD-UHFFFAOYSA-N
XLogP5.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone
CID 56511756
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 46526102
[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 19191926
1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
CID 11596386
2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 71313895
N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 24547474
1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)piperidin-4-one
CID 163738613

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 18534720) is N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide is COc1cc(C(=O)N2CCCC2)c(-c2ccccc2)c(NC(C)=O)c1OCc1ccccc1.
What is the InChIKey of N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is JCURJUCUAFDHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-19(30)28-25-24(21-13-7-4-8-14-21)22(27(31)29-15-9-10-16-29)17-23(32-2)26(25)33-18-20-11-5-3-6-12-20/h3-8,11-14,17H,9-10,15-16,18H2,1-2H3,(H,28,30).
What are the key properties of N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 444.53 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 18534720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).