N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide

C18H21N3O3 — CID 100700674

IUPACN-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
SMILESCC(C)=CCNC(=O)NCc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H21N3O3/c1-13(2)8-9-19-18(23)20-12-14-5-3-6-15(11-14)21-17(22)16-7-4-10-24-16/h3-8,10-11H,9,12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyIHCKTGUGJQFQOX-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.30
Rot. Bonds6

About N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide

N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide (PubChem CID 100700674) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
PubChem CID100700674
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
SMILESCC(C)=CCNC(=O)NCc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H21N3O3/c1-13(2)8-9-19-18(23)20-12-14-5-3-6-15(11-14)21-17(22)16-7-4-10-24-16/h3-8,10-11H,9,12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyIHCKTGUGJQFQOX-UHFFFAOYSA-N
XLogP3.30
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 78871658
N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111134401
N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 86940328
N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 35669369
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39228978
N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 55629630
N-[3-[[(2-tert-butyloxan-3-yl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 86972462
N-[3-[[[4-(3-oxopiperazin-1-yl)phenyl]methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 38314914
N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide
CID 75533226
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide (CID 100700674) is N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide is CC(C)=CCNC(=O)NCc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is IHCKTGUGJQFQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(2)8-9-19-18(23)20-12-14-5-3-6-15(11-14)21-17(22)16-7-4-10-24-16/h3-8,10-11H,9,12H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide?
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 100700674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).