N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide

C18H21N3O4 — CID 120944606

IUPACN-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCC2CNCC2O)cc1NC(=O)c1ccco1
InChIInChI=1S/C18H21N3O4/c1-11-4-5-12(17(23)20-9-13-8-19-10-15(13)22)7-14(11)21-18(24)16-3-2-6-25-16/h2-7,13,15,19,22H,8-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyARKSJZPHYCJOEL-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.15
Rot. Bonds5

About N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 120944606) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID120944606
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCC2CNCC2O)cc1NC(=O)c1ccco1
InChIInChI=1S/C18H21N3O4/c1-11-4-5-12(17(23)20-9-13-8-19-10-15(13)22)7-14(11)21-18(24)16-3-2-6-25-16/h2-7,13,15,19,22H,8-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyARKSJZPHYCJOEL-UHFFFAOYSA-N
XLogP1.15
TPSA103.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 120944964
N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 120659344
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41276141
N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41130825
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119474347
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 120944606) is N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NCC2CNCC2O)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is ARKSJZPHYCJOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-4-5-12(17(23)20-9-13-8-19-10-15(13)22)7-14(11)21-18(24)16-3-2-6-25-16/h2-7,13,15,19,22H,8-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 120944606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).