N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide

C12H19N3O3 — CID 119626005

IUPACN-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCC(C)(C)N
InChIInChI=1S/C12H19N3O3/c1-8(10(16)14-7-12(2,3)13)15-11(17)9-4-5-18-6-9/h4-6,8H,7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySTJGHDNLLZMXSJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.25
Rot. Bonds5

About N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 119626005) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID119626005
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCC(C)(C)N
InChIInChI=1S/C12H19N3O3/c1-8(10(16)14-7-12(2,3)13)15-11(17)9-4-5-18-6-9/h4-6,8H,7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySTJGHDNLLZMXSJ-UHFFFAOYSA-N
XLogP0.25
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 87012580
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 119199037
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
CID 81003529
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 110898699
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091
N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide
CID 47051551

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 119626005) is N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)NCC(C)(C)N.
What is the InChIKey of N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is STJGHDNLLZMXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(10(16)14-7-12(2,3)13)15-11(17)9-4-5-18-6-9/h4-6,8H,7,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 119626005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).