N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide

C16H24N2O3 — CID 7301981

IUPACN-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
SMILESCC[C@H](C)NC(=O)CCN(C(=O)c1ccoc1C)C1CC1
InChIInChI=1S/C16H24N2O3/c1-4-11(2)17-15(19)7-9-18(13-5-6-13)16(20)14-8-10-21-12(14)3/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyOXLHORKBIKHSNF-NSHDSACASA-N
MW292.38 g/mol
LogP2.50
Rot. Bonds7

About N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide

N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide (PubChem CID 7301981) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
PubChem CID7301981
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
SMILESCC[C@H](C)NC(=O)CCN(C(=O)c1ccoc1C)C1CC1
InChIInChI=1S/C16H24N2O3/c1-4-11(2)17-15(19)7-9-18(13-5-6-13)16(20)14-8-10-21-12(14)3/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyOXLHORKBIKHSNF-NSHDSACASA-N
XLogP2.50
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide
CID 7225250
3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212251
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 4119534
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide
CID 79115766
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 42780049
N-cyclopentyl-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 52574458
2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 154740702
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methylfuran-3-carboxamide
CID 78811219

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide (CID 7301981) is N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide is CC[C@H](C)NC(=O)CCN(C(=O)c1ccoc1C)C1CC1.
What is the InChIKey of N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
The InChIKey is OXLHORKBIKHSNF-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-11(2)17-15(19)7-9-18(13-5-6-13)16(20)14-8-10-21-12(14)3/h8,10-11,13H,4-7,9H2,1-3H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 7301981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).