N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide

C25H34N2O3 — CID 3597779

IUPACN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C1CCCCC1
InChIInChI=1S/C25H34N2O3/c1-20(2)27(25(29)22-12-7-4-8-13-22)19-24(28)26(18-23-14-9-17-30-23)16-15-21-10-5-3-6-11-21/h3,5-6,9-11,14,17,20,22H,4,7-8,12-13,15-16,18-19H2,1-2H3
InChIKeyBVKVDVILJMSYTF-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.67
Rot. Bonds9

About N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide (PubChem CID 3597779) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
PubChem CID3597779
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C1CCCCC1
InChIInChI=1S/C25H34N2O3/c1-20(2)27(25(29)22-12-7-4-8-13-22)19-24(28)26(18-23-14-9-17-30-23)16-15-21-10-5-3-6-11-21/h3,5-6,9-11,14,17,20,22H,4,7-8,12-13,15-16,18-19H2,1-2H3
InChIKeyBVKVDVILJMSYTF-UHFFFAOYSA-N
XLogP4.67
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 4260122
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 3473537
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966
2-[ethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3303981
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 3543106
2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
CID 3661314
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methylpropanamide
CID 7439809
2-[[(2S)-butan-2-yl]-(2-chloroacetyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 93109685

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide (CID 3597779) is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide is CC(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C1CCCCC1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
The InChIKey is BVKVDVILJMSYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-20(2)27(25(29)22-12-7-4-8-13-22)19-24(28)26(18-23-14-9-17-30-23)16-15-21-10-5-3-6-11-21/h3,5-6,9-11,14,17,20,22H,4,7-8,12-13,15-16,18-19H2,1-2H3.
What are the key properties of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide?
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 3597779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).