N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide

C27H32N2O4 — CID 3581106

IUPACN-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
SMILESCCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)COCc1ccccc1
InChIInChI=1S/C27H32N2O4/c1-2-16-28(27(31)22-32-21-24-12-7-4-8-13-24)20-26(30)29(19-25-14-9-18-33-25)17-15-23-10-5-3-6-11-23/h3-14,18H,2,15-17,19-22H2,1H3
InChIKeyDFCQVLSGVUMSSB-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.31
Rot. Bonds13

About N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide

N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide (PubChem CID 3581106) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
PubChem CID3581106
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC NameN-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
SMILESCCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)COCc1ccccc1
InChIInChI=1S/C27H32N2O4/c1-2-16-28(27(31)22-32-21-24-12-7-4-8-13-24)20-26(30)29(19-25-14-9-18-33-25)17-15-23-10-5-3-6-11-23/h3-14,18H,2,15-17,19-22H2,1H3
InChIKeyDFCQVLSGVUMSSB-UHFFFAOYSA-N
XLogP4.31
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 42773035
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 4580452
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methylpropanamide
CID 7439809
2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
CID 93109689
N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide
CID 3906755
2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide (CID 3581106) is N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide is CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)COCc1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide?
The InChIKey is DFCQVLSGVUMSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-2-16-28(27(31)22-32-21-24-12-7-4-8-13-24)20-26(30)29(19-25-14-9-18-33-25)17-15-23-10-5-3-6-11-23/h3-14,18H,2,15-17,19-22H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide?
N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide has a molecular weight of 448.56 g/mol, XLogP of 4.31, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide is sourced from PubChem (CID 3581106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).