N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide

C24H32N2O3 — CID 1455103

IUPACN-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide
SMILESCc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1
InChIInChI=1S/C24H32N2O3/c1-17-14-20(24(2,3)4)29-22(17)23(28)26(15-18-10-6-5-7-11-18)16-21(27)25-19-12-8-9-13-19/h5-7,10-11,14,19H,8-9,12-13,15-16H2,1-4H3,(H,25,27)
InChIKeyAVQCKIYTWRSFBC-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.59
Rot. Bonds6

About N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide

N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide (PubChem CID 1455103) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide
PubChem CID1455103
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide
SMILESCc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1
InChIInChI=1S/C24H32N2O3/c1-17-14-20(24(2,3)4)29-22(17)23(28)26(15-18-10-6-5-7-11-18)16-21(27)25-19-12-8-9-13-19/h5-7,10-11,14,19H,8-9,12-13,15-16H2,1-4H3,(H,25,27)
InChIKeyAVQCKIYTWRSFBC-UHFFFAOYSA-N
XLogP4.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide (CID 1455103) is N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide is Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide?
The InChIKey is AVQCKIYTWRSFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17-14-20(24(2,3)4)29-22(17)23(28)26(15-18-10-6-5-7-11-18)16-21(27)25-19-12-8-9-13-19/h5-7,10-11,14,19H,8-9,12-13,15-16H2,1-4H3,(H,25,27).
What are the key properties of N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide?
N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 1455103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).