N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide

C19H22N2O3 — CID 38612575

IUPACN-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)o1
InChIInChI=1S/C19H22N2O3/c1-11-10-17(13(3)24-11)19(23)20-12(2)14-6-8-16(9-7-14)21-18(22)15-4-5-15/h6-10,12,15H,4-5H2,1-3H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyXNIAVDKRTLVASQ-LBPRGKRZSA-N
MW326.40 g/mol
LogP3.74
Rot. Bonds5

About N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide

N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 38612575) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID38612575
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)o1
InChIInChI=1S/C19H22N2O3/c1-11-10-17(13(3)24-11)19(23)20-12(2)14-6-8-16(9-7-14)21-18(22)15-4-5-15/h6-10,12,15H,4-5H2,1-3H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyXNIAVDKRTLVASQ-LBPRGKRZSA-N
XLogP3.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 134021169
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 18114856
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78851356
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 134021153
4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 55584438
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 55591110
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 46599128

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide (CID 38612575) is N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)o1.
What is the InChIKey of N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is XNIAVDKRTLVASQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-11-10-17(13(3)24-11)19(23)20-12(2)14-6-8-16(9-7-14)21-18(22)15-4-5-15/h6-10,12,15H,4-5H2,1-3H3,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 38612575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).