N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide

C21H27N3O4 — CID 55742434

IUPACN-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCCCN2CCOCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H27N3O4/c1-16-6-7-17(15-18(16)23-21(26)19-5-4-12-28-19)20(25)22-8-2-3-9-24-10-13-27-14-11-24/h4-7,12,15H,2-3,8-11,13-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyXMQRKPYCKOSGCS-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.68
Rot. Bonds8

About N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide

N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 55742434) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID55742434
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCCCCN2CCOCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H27N3O4/c1-16-6-7-17(15-18(16)23-21(26)19-5-4-12-28-19)20(25)22-8-2-3-9-24-10-13-27-14-11-24/h4-7,12,15H,2-3,8-11,13-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyXMQRKPYCKOSGCS-UHFFFAOYSA-N
XLogP2.68
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 24653710
N-[2-(dipropylamino)-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 130372937
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41130825
N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
CID 55847878
N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 55746271

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide (CID 55742434) is N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide is Cc1ccc(C(=O)NCCCCN2CCOCC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is XMQRKPYCKOSGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-16-6-7-17(15-18(16)23-21(26)19-5-4-12-28-19)20(25)22-8-2-3-9-24-10-13-27-14-11-24/h4-7,12,15H,2-3,8-11,13-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide?
N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55742434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).