2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C24H33N3O3 — CID 5228415

IUPAC2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)NC(C)(C)C)C2CC2)o1
InChIInChI=1S/C24H33N3O3/c1-18-10-13-21(30-18)16-26(15-14-19-8-6-5-7-9-19)22(28)17-27(20-11-12-20)23(29)25-24(2,3)4/h5-10,13,20H,11-12,14-17H2,1-4H3,(H,25,29)
InChIKeyUIUAQNFXZFHUBC-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.13
Rot. Bonds8

About 2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 5228415) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID5228415
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)NC(C)(C)C)C2CC2)o1
InChIInChI=1S/C24H33N3O3/c1-18-10-13-21(30-18)16-26(15-14-19-8-6-5-7-9-19)22(28)17-27(20-11-12-20)23(29)25-24(2,3)4/h5-10,13,20H,11-12,14-17H2,1-4H3,(H,25,29)
InChIKeyUIUAQNFXZFHUBC-UHFFFAOYSA-N
XLogP4.13
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3610810
2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
CID 42780133
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4291924
cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 7405274
2-[furan-2-ylmethyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5110905
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3322210
N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide
CID 3531802
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropylcyclobutanecarboxamide
CID 1058915
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 5041484
2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 4028602
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 4216866
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
CID 4233999

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 5228415) is 2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)NC(C)(C)C)C2CC2)o1.
What is the InChIKey of 2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is UIUAQNFXZFHUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-18-10-13-21(30-18)16-26(15-14-19-8-6-5-7-9-19)22(28)17-27(20-11-12-20)23(29)25-24(2,3)4/h5-10,13,20H,11-12,14-17H2,1-4H3,(H,25,29).
What are the key properties of 2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 411.55 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 5228415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).