N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide

C18H30N2O3 — CID 3591637

IUPACN-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
SMILESCCN(CC)C(=O)CCN(CC(C)C)C(=O)c1cc(C)oc1C
InChIInChI=1S/C18H30N2O3/c1-7-19(8-2)17(21)9-10-20(12-13(3)4)18(22)16-11-14(5)23-15(16)6/h11,13H,7-10,12H2,1-6H3
InChIKeyNBDPHQQBFZEJIU-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.25
Rot. Bonds8

About N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide

N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide (PubChem CID 3591637) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
PubChem CID3591637
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
SMILESCCN(CC)C(=O)CCN(CC(C)C)C(=O)c1cc(C)oc1C
InChIInChI=1S/C18H30N2O3/c1-7-19(8-2)17(21)9-10-20(12-13(3)4)18(22)16-11-14(5)23-15(16)6/h11,13H,7-10,12H2,1-6H3
InChIKeyNBDPHQQBFZEJIU-UHFFFAOYSA-N
XLogP3.25
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 3303521
2,5-dimethyl-N,N-bis(2-methylpropyl)furan-3-carboxamide
CID 86978108
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 4181128
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,5-dimethylfuran-3-carboxamide
CID 107491208
N-[3-(diethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 4651219
3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-ethyl-2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 816495
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316
N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42779764
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80666211

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide (CID 3591637) is N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide is CCN(CC)C(=O)CCN(CC(C)C)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The InChIKey is NBDPHQQBFZEJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-7-19(8-2)17(21)9-10-20(12-13(3)4)18(22)16-11-14(5)23-15(16)6/h11,13H,7-10,12H2,1-6H3.
What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide is sourced from PubChem (CID 3591637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).