N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide

C27H30N2O4 — CID 3884188

IUPACN-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)COCc2ccccc2)C2CC2)o1
InChIInChI=1S/C27H30N2O4/c1-21-12-15-25(33-21)17-28(16-22-8-4-2-5-9-22)26(30)18-29(24-13-14-24)27(31)20-32-19-23-10-6-3-7-11-23/h2-12,15,24H,13-14,16-20H2,1H3
InChIKeyDGFLPHMLNFZMOR-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.32
Rot. Bonds11

About N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide

N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 3884188) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID3884188
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)COCc2ccccc2)C2CC2)o1
InChIInChI=1S/C27H30N2O4/c1-21-12-15-25(33-21)17-28(16-22-8-4-2-5-9-22)26(30)18-29(24-13-14-24)27(31)20-32-19-23-10-6-3-7-11-23/h2-12,15,24H,13-14,16-20H2,1H3
InChIKeyDGFLPHMLNFZMOR-UHFFFAOYSA-N
XLogP4.32
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[3-ethoxypropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773091
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]-N-cyclopropyl-3,5-dimethoxybenzamide
CID 1058909
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide
CID 4274304
2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4003243
(2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide
CID 7399320
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]-N-(oxolan-2-ylmethyl)benzamide
CID 5052075
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 4079510
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 3884188) is N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)COCc2ccccc2)C2CC2)o1.
What is the InChIKey of N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is DGFLPHMLNFZMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-21-12-15-25(33-21)17-28(16-22-8-4-2-5-9-22)26(30)18-29(24-13-14-24)27(31)20-32-19-23-10-6-3-7-11-23/h2-12,15,24H,13-14,16-20H2,1H3.
What are the key properties of N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 446.55 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 3884188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).