2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C27H30ClN3O3 — CID 3487602

IUPAC2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CC2)C(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C27H30ClN3O3/c1-20-10-13-25(34-20)18-30(15-14-21-6-3-2-4-7-21)26(32)19-31(17-22-11-12-22)27(33)29-24-9-5-8-23(28)16-24/h2-10,13,16,22H,11-12,14-15,17-19H2,1H3,(H,29,33)
InChIKeyOGMNYOVFTGOCGZ-UHFFFAOYSA-N
MW480.01 g/mol
LogP5.76
Rot. Bonds10

About 2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 3487602) has the molecular formula C27H30ClN3O3 and a molecular weight of 480.01 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID3487602
Molecular FormulaC27H30ClN3O3
Molecular Weight480.01 g/mol
Exact Mass479.20
IUPAC Name2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CC2)C(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C27H30ClN3O3/c1-20-10-13-25(34-20)18-30(15-14-21-6-3-2-4-7-21)26(32)19-31(17-22-11-12-22)27(33)29-24-9-5-8-23(28)16-24/h2-10,13,16,22H,11-12,14-15,17-19H2,1H3,(H,29,33)
InChIKeyOGMNYOVFTGOCGZ-UHFFFAOYSA-N
XLogP5.76
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3346955
2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128931
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3615827
2-[cyclopropylmethyl(ethylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3398328
2-[butan-2-yl-[(3-chlorophenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3275563
cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 7405274
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide
CID 3940325
4-chloro-N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 3630821
2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5228415
2,4-dichloro-N-(3-ethoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3984440
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
CID 4233999
2-[furan-2-ylmethyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5110905

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 3487602) is 2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CC2)C(=O)Nc2cccc(Cl)c2)o1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is OGMNYOVFTGOCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O3/c1-20-10-13-25(34-20)18-30(15-14-21-6-3-2-4-7-21)26(32)19-31(17-22-11-12-22)27(33)29-24-9-5-8-23(28)16-24/h2-10,13,16,22H,11-12,14-15,17-19H2,1H3,(H,29,33).
What are the key properties of 2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 480.01 g/mol, XLogP of 5.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3487602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).