N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide

C17H28N2O3 — CID 7417691

IUPACN-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide
SMILESCCCNC(=O)CCN(C(=O)c1cc(C)oc1C)[C@H](C)CC
InChIInChI=1S/C17H28N2O3/c1-6-9-18-16(20)8-10-19(12(3)7-2)17(21)15-11-13(4)22-14(15)5/h11-12H,6-10H2,1-5H3,(H,18,20)/t12-/m1/s1
InChIKeyRDNVICZPIYYMKJ-GFCCVEGCSA-N
MW308.42 g/mol
LogP3.05
Rot. Bonds8

About N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide

N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide (PubChem CID 7417691) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide
PubChem CID7417691
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide
SMILESCCCNC(=O)CCN(C(=O)c1cc(C)oc1C)[C@H](C)CC
InChIInChI=1S/C17H28N2O3/c1-6-9-18-16(20)8-10-19(12(3)7-2)17(21)15-11-13(4)22-14(15)5/h11-12H,6-10H2,1-5H3,(H,18,20)/t12-/m1/s1
InChIKeyRDNVICZPIYYMKJ-GFCCVEGCSA-N
XLogP3.05
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
CID 4153616
N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]furan-3-carboxamide
CID 7482300
N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide
CID 134025956
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 42780086
N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42779764
N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 42779763
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide
CID 7225250
N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80666211
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
CID 54942114
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780264
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide (CID 7417691) is N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide is CCCNC(=O)CCN(C(=O)c1cc(C)oc1C)[C@H](C)CC.
What is the InChIKey of N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide?
The InChIKey is RDNVICZPIYYMKJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-6-9-18-16(20)8-10-19(12(3)7-2)17(21)15-11-13(4)22-14(15)5/h11-12H,6-10H2,1-5H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide?
N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 7417691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).