N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide

C17H26N2O4 — CID 42780210

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
SMILESCCC(C)NC(=O)CCN(CC1CCCO1)C(=O)c1ccoc1
InChIInChI=1S/C17H26N2O4/c1-3-13(2)18-16(20)6-8-19(11-15-5-4-9-23-15)17(21)14-7-10-22-12-14/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,18,20)
InChIKeyNTSLBZHVTSYDEF-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.21
Rot. Bonds8

About N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide (PubChem CID 42780210) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
PubChem CID42780210
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
SMILESCCC(C)NC(=O)CCN(CC1CCCO1)C(=O)c1ccoc1
InChIInChI=1S/C17H26N2O4/c1-3-13(2)18-16(20)6-8-19(11-15-5-4-9-23-15)17(21)14-7-10-22-12-14/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,18,20)
InChIKeyNTSLBZHVTSYDEF-UHFFFAOYSA-N
XLogP2.21
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780190
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4191902
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 7330670
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
CID 42780168
N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137927
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82327343
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7218732
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7297460
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide (CID 42780210) is N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide is CCC(C)NC(=O)CCN(CC1CCCO1)C(=O)c1ccoc1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
The InChIKey is NTSLBZHVTSYDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-13(2)18-16(20)6-8-19(11-15-5-4-9-23-15)17(21)14-7-10-22-12-14/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 42780210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).