N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide

C14H15N3O3 — CID 47141294

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(NC(N)=O)cc2)o1
InChIInChI=1S/C14H15N3O3/c1-9-2-7-12(20-9)13(18)16-8-10-3-5-11(6-4-10)17-14(15)19/h2-7H,8H2,1H3,(H,16,18)(H3,15,17,19)
InChIKeyAAOPPQIWTXGWFQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.01
Rot. Bonds4

About N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide

N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide (PubChem CID 47141294) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide
PubChem CID47141294
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(NC(N)=O)cc2)o1
InChIInChI=1S/C14H15N3O3/c1-9-2-7-12(20-9)13(18)16-8-10-3-5-11(6-4-10)17-14(15)19/h2-7H,8H2,1H3,(H,16,18)(H3,15,17,19)
InChIKeyAAOPPQIWTXGWFQ-UHFFFAOYSA-N
XLogP2.01
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
CID 106910296
N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 47109152
5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55781738
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945
N-[[4-(carbamoylamino)phenyl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55910440
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-5-methylfuran-2-carboxamide
CID 76932654
N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 2991250
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide
CID 94197302
5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide
CID 52555638
N-[4-(dimethylcarbamoyl)phenyl]-5-methylfuran-2-carboxamide
CID 17394257
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55595384

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide (CID 47141294) is N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCc2ccc(NC(N)=O)cc2)o1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide?
The InChIKey is AAOPPQIWTXGWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-2-7-12(20-9)13(18)16-8-10-3-5-11(6-4-10)17-14(15)19/h2-7H,8H2,1H3,(H,16,18)(H3,15,17,19).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide?
N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 47141294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).