N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide

C21H30N4O3 — CID 83273891

IUPACN-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide
SMILESCCCN(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)C(=O)c1ccco1
InChIInChI=1S/C21H30N4O3/c1-6-11-25(20(26)19-8-7-12-28-19)14-16-13-17(9-10-18(16)24(4)5)23-21(27)22-15(2)3/h7-10,12-13,15H,6,11,14H2,1-5H3,(H2,22,23,27)
InChIKeyQZEDSILIXJJMQC-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.93
Rot. Bonds8

About N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide

N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide (PubChem CID 83273891) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide
PubChem CID83273891
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide
SMILESCCCN(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)C(=O)c1ccco1
InChIInChI=1S/C21H30N4O3/c1-6-11-25(20(26)19-8-7-12-28-19)14-16-13-17(9-10-18(16)24(4)5)23-21(27)22-15(2)3/h7-10,12-13,15H,6,11,14H2,1-5H3,(H2,22,23,27)
InChIKeyQZEDSILIXJJMQC-UHFFFAOYSA-N
XLogP3.93
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-ethyl-N-[(3-fluorophenyl)methyl]butanamide
CID 42817574
N-butan-2-yl-N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-methylpropanamide
CID 42669755
N-butan-2-yl-N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 24718396
N-[3-[[benzyl(propan-2-ylcarbamoyl)amino]methyl]-4-(dimethylamino)phenyl]propanamide
CID 83283392
N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42817244
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42815461
N-[4-(dimethylamino)-3-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl]-2-methylpropanamide
CID 42815648
N-[4-(dimethylamino)-3-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 46138548
N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-methoxyacetamide
CID 42817464
N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-methoxybenzamide
CID 42817518
N-[3-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 46138547
N-[3-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 46138386

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide (CID 83273891) is N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide is CCCN(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)C(=O)c1ccco1.
What is the InChIKey of N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide?
The InChIKey is QZEDSILIXJJMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-6-11-25(20(26)19-8-7-12-28-19)14-16-13-17(9-10-18(16)24(4)5)23-21(27)22-15(2)3/h7-10,12-13,15H,6,11,14H2,1-5H3,(H2,22,23,27).
What are the key properties of N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide?
N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 83273891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).