N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide

C20H25N3O3 — CID 55628715

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
SMILESCN(C)Cc1ccccc1CNC(=O)CCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C20H25N3O3/c1-23(2)15-17-7-4-3-6-16(17)14-22-20(25)11-12-21-19(24)10-9-18-8-5-13-26-18/h3-10,13H,11-12,14-15H2,1-2H3,(H,21,24)(H,22,25)/b10-9+
InChIKeyXDICUJCCLGOOGJ-MDZDMXLPSA-N
MW355.44 g/mol
LogP2.18
Rot. Bonds9

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide (PubChem CID 55628715) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
PubChem CID55628715
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
SMILESCN(C)Cc1ccccc1CNC(=O)CCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C20H25N3O3/c1-23(2)15-17-7-4-3-6-16(17)14-22-20(25)11-12-21-19(24)10-9-18-8-5-13-26-18/h3-10,13H,11-12,14-15H2,1-2H3,(H,21,24)(H,22,25)/b10-9+
InChIKeyXDICUJCCLGOOGJ-MDZDMXLPSA-N
XLogP2.18
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 55616568
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide
CID 55802124
N-[3-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoylamino]methyl]phenyl]-4-methylbenzamide
CID 55899785
N-(3-benzylsulfonylpropyl)-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55843117
N-[2-(2-bromoanilino)-2-oxoethyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylpropanamide
CID 55616700
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide (CID 55628715) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide is CN(C)Cc1ccccc1CNC(=O)CCNC(=O)/C=C/c1ccco1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The InChIKey is XDICUJCCLGOOGJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-23(2)15-17-7-4-3-6-16(17)14-22-20(25)11-12-21-19(24)10-9-18-8-5-13-26-18/h3-10,13H,11-12,14-15H2,1-2H3,(H,21,24)(H,22,25)/b10-9+.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 55628715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).