(2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide

C26H36N2O3 — CID 7399320

IUPAC(2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide
SMILESCCCC[C@H](CC)C(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C1CC1
InChIInChI=1S/C26H36N2O3/c1-4-6-12-22(5-2)26(30)28(23-14-15-23)19-25(29)27(17-21-10-8-7-9-11-21)18-24-16-13-20(3)31-24/h7-11,13,16,22-23H,4-6,12,14-15,17-19H2,1-3H3/t22-/m0/s1
InChIKeyUTLXCCIGMUXRPG-QFIPXVFZSA-N
MW424.59 g/mol
LogP5.32
Rot. Bonds12

About (2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide

(2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide (PubChem CID 7399320) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is (2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide.

Molecular Properties

Compound Name(2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide
PubChem CID7399320
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name(2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide
SMILESCCCC[C@H](CC)C(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C1CC1
InChIInChI=1S/C26H36N2O3/c1-4-6-12-22(5-2)26(30)28(23-14-15-23)19-25(29)27(17-21-10-8-7-9-11-21)18-24-16-13-20(3)31-24/h7-11,13,16,22-23H,4-6,12,14-15,17-19H2,1-3H3/t22-/m0/s1
InChIKeyUTLXCCIGMUXRPG-QFIPXVFZSA-N
XLogP5.32
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide
CID 3882073
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide
CID 4274304
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
N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3884188
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-phenylbutanamide
CID 4239232
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide
CID 1058909
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 5016754
(2S)-N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
CID 93109891
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42773075
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylpentanamide
CID 3955195
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4252253

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide?
The IUPAC name of (2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide (CID 7399320) is (2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide.
What is the SMILES notation for (2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide?
The canonical SMILES for (2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide is CCCC[C@H](CC)C(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C1CC1.
What is the InChIKey of (2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide?
The InChIKey is UTLXCCIGMUXRPG-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-4-6-12-22(5-2)26(30)28(23-14-15-23)19-25(29)27(17-21-10-8-7-9-11-21)18-24-16-13-20(3)31-24/h7-11,13,16,22-23H,4-6,12,14-15,17-19H2,1-3H3/t22-/m0/s1.
What are the key properties of (2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide?
(2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide has a molecular weight of 424.59 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide is sourced from PubChem (CID 7399320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).