N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide

C14H15NO3 — CID 82118234

IUPACN-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
SMILESCC(CO)NC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H15NO3/c1-10(9-16)15-14(17)13-8-7-12(18-13)11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3,(H,15,17)
InChIKeyMMYVRTUKLDFZTP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.06
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide

N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide (PubChem CID 82118234) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
PubChem CID82118234
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
SMILESCC(CO)NC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H15NO3/c1-10(9-16)15-14(17)13-8-7-12(18-13)11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3,(H,15,17)
InChIKeyMMYVRTUKLDFZTP-UHFFFAOYSA-N
XLogP2.06
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-phenylfuran-2-carbonyl)amino]butanedioic acid
CID 169205444
N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82121169
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
1-(5-phenylfuran-2-yl)propan-1-one
CID 62631331
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid
CID 119363534
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 16560702
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate
CID 69117368

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide (CID 82118234) is N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide is CC(CO)NC(=O)c1ccc(-c2ccccc2)o1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide?
The InChIKey is MMYVRTUKLDFZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(9-16)15-14(17)13-8-7-12(18-13)11-5-3-2-4-6-11/h2-8,10,16H,9H2,1H3,(H,15,17).
What are the key properties of N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide?
N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 82118234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).