N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide

C18H21N3O3 — CID 54818995

IUPACN-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)CNCc2ccco2)cccc1NC(=O)C1CC1
InChIInChI=1S/C18H21N3O3/c1-12-15(5-2-6-16(12)21-18(23)13-7-8-13)20-17(22)11-19-10-14-4-3-9-24-14/h2-6,9,13,19H,7-8,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQPPAXXFTHILVPX-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.66
Rot. Bonds7

About N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 54818995) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID54818995
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)CNCc2ccco2)cccc1NC(=O)C1CC1
InChIInChI=1S/C18H21N3O3/c1-12-15(5-2-6-16(12)21-18(23)13-7-8-13)20-17(22)11-19-10-14-4-3-9-24-14/h2-6,9,13,19H,7-8,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQPPAXXFTHILVPX-UHFFFAOYSA-N
XLogP2.66
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076
4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid
CID 46761186
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-(4-chloro-2-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
CID 108996274
2-(furan-2-ylmethylamino)-N-(2-methylcyclohexyl)acetamide
CID 54773430
2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
CID 6602692
4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147825
N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690693
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844663
2-(furan-2-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9466798

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide (CID 54818995) is N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide is Cc1c(NC(=O)CNCc2ccco2)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is QPPAXXFTHILVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-15(5-2-6-16(12)21-18(23)13-7-8-13)20-17(22)11-19-10-14-4-3-9-24-14/h2-6,9,13,19H,7-8,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54818995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).