N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide

C28H34N2O3 — CID 42773075

IUPACN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C28H34N2O3/c1-4-18-29(28(32)26(5-2)24-14-10-7-11-15-24)21-27(31)30(19-23-12-8-6-9-13-23)20-25-17-16-22(3)33-25/h6-17,26H,4-5,18-21H2,1-3H3
InChIKeyZRIQGGBFOREAQL-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.55
Rot. Bonds11

About N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide (PubChem CID 42773075) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
PubChem CID42773075
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C28H34N2O3/c1-4-18-29(28(32)26(5-2)24-14-10-7-11-15-24)21-27(31)30(19-23-12-8-6-9-13-23)20-25-17-16-22(3)33-25/h6-17,26H,4-5,18-21H2,1-3H3
InChIKeyZRIQGGBFOREAQL-UHFFFAOYSA-N
XLogP5.55
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.55
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-propylpropanamide
CID 4252253
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 5016754
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)propanamide
CID 42773072
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-phenylbutanamide
CID 3979409
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-phenylbutanamide
CID 4239232
N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3298683
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4606813
2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
CID 42780133
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
CID 61008627
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)nonanamide
CID 42773042
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 5155914
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide (CID 42773075) is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide.
What is the SMILES notation for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The canonical SMILES for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide is CCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)C(CC)c1ccccc1.
What is the InChIKey of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
The InChIKey is ZRIQGGBFOREAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-4-18-29(28(32)26(5-2)24-14-10-7-11-15-24)21-27(31)30(19-23-12-8-6-9-13-23)20-25-17-16-22(3)33-25/h6-17,26H,4-5,18-21H2,1-3H3.
What are the key properties of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide?
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide has a molecular weight of 446.59 g/mol, XLogP of 5.55, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide is sourced from PubChem (CID 42773075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).