N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide

C18H19BrN2O4 — CID 55919724

IUPACN-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
SMILESO=C(C=Cc1ccco1)NCCC(=O)NCCOc1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O4/c19-14-3-1-4-16(13-14)25-12-10-21-18(23)8-9-20-17(22)7-6-15-5-2-11-24-15/h1-7,11,13H,8-10,12H2,(H,20,22)(H,21,23)
InChIKeyBKIKEUBFVAWWRG-UHFFFAOYSA-N
MW407.26 g/mol
LogP2.76
Rot. Bonds9

About N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide

N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide (PubChem CID 55919724) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
PubChem CID55919724
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
SMILESO=C(C=Cc1ccco1)NCCC(=O)NCCOc1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O4/c19-14-3-1-4-16(13-14)25-12-10-21-18(23)8-9-20-17(22)7-6-15-5-2-11-24-15/h1-7,11,13H,8-10,12H2,(H,20,22)(H,21,23)
InChIKeyBKIKEUBFVAWWRG-UHFFFAOYSA-N
XLogP2.76
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 24533349
(E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 5291630
N-[3-(difluoromethoxy)phenyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 55742167
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide
CID 60549507
(E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 47330638
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 47322764
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 55616568
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
N-[2-(3-bromophenoxy)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 76867422

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide (CID 55919724) is N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide is O=C(C=Cc1ccco1)NCCC(=O)NCCOc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide?
The InChIKey is BKIKEUBFVAWWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c19-14-3-1-4-16(13-14)25-12-10-21-18(23)8-9-20-17(22)7-6-15-5-2-11-24-15/h1-7,11,13H,8-10,12H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide?
N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide has a molecular weight of 407.26 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide is sourced from PubChem (CID 55919724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).