2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C25H29N3O3 — CID 8756584

IUPAC2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN[C@@H](c1ccccc1)c1ccco1)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H29N3O3/c29-24(18-27-25(23-7-4-14-31-23)22-5-2-1-3-6-22)26-17-20-8-10-21(11-9-20)19-28-12-15-30-16-13-28/h1-11,14,25,27H,12-13,15-19H2,(H,26,29)/t25-/m0/s1
InChIKeyHJSOJQTYBNQVEZ-VWLOTQADSA-N
MW419.53 g/mol
LogP3.11
Rot. Bonds9

About 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 8756584) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID8756584
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN[C@@H](c1ccccc1)c1ccco1)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H29N3O3/c29-24(18-27-25(23-7-4-14-31-23)22-5-2-1-3-6-22)26-17-20-8-10-21(11-9-20)19-28-12-15-30-16-13-28/h1-11,14,25,27H,12-13,15-19H2,(H,26,29)/t25-/m0/s1
InChIKeyHJSOJQTYBNQVEZ-VWLOTQADSA-N
XLogP3.11
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8756580
N-(1-benzylpiperidin-4-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756626
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756176
(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931
1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 42934834
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-phenylpropyl)acetamide
CID 8696124
2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 8545779
N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 8756584) is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is O=C(CN[C@@H](c1ccccc1)c1ccco1)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is HJSOJQTYBNQVEZ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-24(18-27-25(23-7-4-14-31-23)22-5-2-1-3-6-22)26-17-20-8-10-21(11-9-20)19-28-12-15-30-16-13-28/h1-11,14,25,27H,12-13,15-19H2,(H,26,29)/t25-/m0/s1.
What are the key properties of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8756584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).