N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide

C20H25N3O4 — CID 51143508

IUPACN-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C20H25N3O4/c1-4-11-23(13-18(24)22-16-9-6-5-8-14(16)2)20(26)15(3)21-19(25)17-10-7-12-27-17/h5-10,12,15H,4,11,13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyRSOVEOSGZRDQTI-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.58
Rot. Bonds8

About N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 51143508) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID51143508
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C20H25N3O4/c1-4-11-23(13-18(24)22-16-9-6-5-8-14(16)2)20(26)15(3)21-19(25)17-10-7-12-27-17/h5-10,12,15H,4,11,13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyRSOVEOSGZRDQTI-UHFFFAOYSA-N
XLogP2.58
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60653730
3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 119682383
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
3-[[(2S)-2-(furan-2-carbonylamino)propanoyl]-(2-methylpropyl)amino]propanoic acid
CID 129414649
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968
2-[2-benzamidopropanoyl(propyl)amino]acetic acid
CID 61012746
4-[benzyl-[2-(furan-2-carbonylamino)propanoyl]amino]butanoic acid
CID 120536344
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
N-[1-[2-hydroxyethyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60652573

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 51143508) is N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)C(C)NC(=O)c1ccco1.
What is the InChIKey of N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is RSOVEOSGZRDQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-11-23(13-18(24)22-16-9-6-5-8-14(16)2)20(26)15(3)21-19(25)17-10-7-12-27-17/h5-10,12,15H,4,11,13H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51143508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).