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

C25H29N3O3 — CID 8756580

IUPAC2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN[C@@H](c1ccccc1)c1ccco1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C25H29N3O3/c29-24(18-27-25(23-11-6-14-31-23)20-7-2-1-3-8-20)26-17-21-9-4-5-10-22(21)19-28-12-15-30-16-13-28/h1-11,14,25,27H,12-13,15-19H2,(H,26,29)/t25-/m0/s1
InChIKeyVKVMFKDMUWDLTO-VWLOTQADSA-N
MW419.53 g/mol
LogP3.11
Rot. Bonds9

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

2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 8756580) 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-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID8756580
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN[C@@H](c1ccccc1)c1ccco1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C25H29N3O3/c29-24(18-27-25(23-11-6-14-31-23)20-7-2-1-3-8-20)26-17-21-9-4-5-10-22(21)19-28-12-15-30-16-13-28/h1-11,14,25,27H,12-13,15-19H2,(H,26,29)/t25-/m0/s1
InChIKeyVKVMFKDMUWDLTO-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8756584
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-(1-benzylpiperidin-4-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756626
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide
CID 78810432
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylpentanamide
CID 134049550
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-phenylpropyl)acetamide
CID 8696124

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 8756580) is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is O=C(CN[C@@H](c1ccccc1)c1ccco1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is VKVMFKDMUWDLTO-VWLOTQADSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-24(18-27-25(23-11-6-14-31-23)20-7-2-1-3-8-20)26-17-21-9-4-5-10-22(21)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-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[2-(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-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8756580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).