N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide

C17H26N2O3 — CID 7225250

IUPACN-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide
SMILESCC[C@@H](C)NC(=O)CCN(C(=O)c1cc(C)oc1C)C1CC1
InChIInChI=1S/C17H26N2O3/c1-5-11(2)18-16(20)8-9-19(14-6-7-14)17(21)15-10-12(3)22-13(15)4/h10-11,14H,5-9H2,1-4H3,(H,18,20)/t11-/m1/s1
InChIKeyNSEHRJQKCAXKSI-LLVKDONJSA-N
MW306.41 g/mol
LogP2.81
Rot. Bonds7

About N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide

N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide (PubChem CID 7225250) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide
PubChem CID7225250
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide
SMILESCC[C@@H](C)NC(=O)CCN(C(=O)c1cc(C)oc1C)C1CC1
InChIInChI=1S/C17H26N2O3/c1-5-11(2)18-16(20)8-9-19(14-6-7-14)17(21)15-10-12(3)22-13(15)4/h10-11,14H,5-9H2,1-4H3,(H,18,20)/t11-/m1/s1
InChIKeyNSEHRJQKCAXKSI-LLVKDONJSA-N
XLogP2.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide with MolForge

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Related Compounds

N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 7301981
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5203446
N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
CID 102872648
N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 3695173
2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 54945910
N-(azetidin-3-yl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 66181383
N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide
CID 7417691
2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide
CID 42779721
2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
CID 4153616
(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151
N-ethyl-2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 60807715

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide (CID 7225250) is N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide is CC[C@@H](C)NC(=O)CCN(C(=O)c1cc(C)oc1C)C1CC1.
What is the InChIKey of N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NSEHRJQKCAXKSI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-11(2)18-16(20)8-9-19(14-6-7-14)17(21)15-10-12(3)22-13(15)4/h10-11,14H,5-9H2,1-4H3,(H,18,20)/t11-/m1/s1.
What are the key properties of N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide?
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 7225250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).