N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide

C15H18N2O2 — CID 105060475

IUPACN-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-11-13(8-9-19-11)14(18)17-15(2,10-16)12-6-4-3-5-7-12/h3-9H,10,16H2,1-2H3,(H,17,18)
InChIKeyXQSBJOJVVUVHKC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds4

About N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide

N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 105060475) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
PubChem CID105060475
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-11-13(8-9-19-11)14(18)17-15(2,10-16)12-6-4-3-5-7-12/h3-9H,10,16H2,1-2H3,(H,17,18)
InChIKeyXQSBJOJVVUVHKC-UHFFFAOYSA-N
XLogP2.19
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060348
N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105060436
N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802495
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 61262797
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
CID 106856236
N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide
CID 105060471
N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide
CID 105060363
N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
CID 105060344
N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide
CID 103946130
N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
2-methyl-N'-(2-phenylmethoxypropanoyl)furan-3-carbohydrazide
CID 46480731
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
CID 97002318

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide (CID 105060475) is N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC(C)(CN)c1ccccc1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is XQSBJOJVVUVHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-13(8-9-19-11)14(18)17-15(2,10-16)12-6-4-3-5-7-12/h3-9H,10,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide?
N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 105060475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).