2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide

C28H29N3O3 — CID 70004150

IUPAC2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide
SMILESCOc1cc(C(Nc2ccc(C#N)cc2)C(=O)NC2CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C28H29N3O3/c1-33-26-17-22(13-16-25(26)34-19-21-7-3-2-4-8-21)27(28(32)31-23-9-5-6-10-23)30-24-14-11-20(18-29)12-15-24/h2-4,7-8,11-17,23,27,30H,5-6,9-10,19H2,1H3,(H,31,32)
InChIKeyUJDVWLRJANITLO-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.36
Rot. Bonds9

About 2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide

2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide (PubChem CID 70004150) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide
PubChem CID70004150
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide
SMILESCOc1cc(C(Nc2ccc(C#N)cc2)C(=O)NC2CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C28H29N3O3/c1-33-26-17-22(13-16-25(26)34-19-21-7-3-2-4-8-21)27(28(32)31-23-9-5-6-10-23)30-24-14-11-20(18-29)12-15-24/h2-4,7-8,11-17,23,27,30H,5-6,9-10,19H2,1H3,(H,31,32)
InChIKeyUJDVWLRJANITLO-UHFFFAOYSA-N
XLogP5.36
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]benzoic acid
CID 23283388
N-benzyl-2-(4-cyanoanilino)-2-[3-methoxy-4-[(3-phenoxyphenyl)methoxy]phenyl]acetamide
CID 23283646
2-(4-cyanoanilino)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide
CID 23283365
N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide
CID 23283338
N-benzyl-2-(4-cyanoanilino)-2-[3-methoxy-4-(quinolin-7-ylmethoxy)phenyl]acetamide
CID 23283528
(2S)-N-benzyl-2-(4-cyanoanilino)-2-[3-methoxy-4-(quinolin-7-ylmethoxy)phenyl]acetamide
CID 70004084
2-(4-cyanoanilino)-2-(3,4-dimethoxyphenyl)acetate
CID 22040045
2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-2-(4-cyanoanilino)acetate
CID 22039774
(2S)-N-benzyl-2-(4-cyanoanilino)-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)acetamide
CID 70003619
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
(2S)-2-[[(2S)-2-[4-(N'-hydroxycarbamimidoyl)anilino]-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]-3-phenylpropanoic acid
CID 54457858
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide (CID 70004150) is 2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide is COc1cc(C(Nc2ccc(C#N)cc2)C(=O)NC2CCCC2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide?
The InChIKey is UJDVWLRJANITLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-33-26-17-22(13-16-25(26)34-19-21-7-3-2-4-8-21)27(28(32)31-23-9-5-6-10-23)30-24-14-11-20(18-29)12-15-24/h2-4,7-8,11-17,23,27,30H,5-6,9-10,19H2,1H3,(H,31,32).
What are the key properties of 2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide?
2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide has a molecular weight of 455.56 g/mol, XLogP of 5.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 70004150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).