N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide

C20H25N3O4 — CID 99739190

IUPACN-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide
SMILESCCCCN(CC)C(=O)CN1C(=O)N[C@@H](c2ccccc2)C2=C1COC2=O
InChIInChI=1S/C20H25N3O4/c1-3-5-11-22(4-2)16(24)12-23-15-13-27-19(25)17(15)18(21-20(23)26)14-9-7-6-8-10-14/h6-10,18H,3-5,11-13H2,1-2H3,(H,21,26)/t18-/m0/s1
InChIKeyIIHSKSZSIWIRTB-SFHVURJKSA-N
MW371.44 g/mol
LogP2.21
Rot. Bonds7

About N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide

N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide (PubChem CID 99739190) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide
PubChem CID99739190
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide
SMILESCCCCN(CC)C(=O)CN1C(=O)N[C@@H](c2ccccc2)C2=C1COC2=O
InChIInChI=1S/C20H25N3O4/c1-3-5-11-22(4-2)16(24)12-23-15-13-27-19(25)17(15)18(21-20(23)26)14-9-7-6-8-10-14/h6-10,18H,3-5,11-13H2,1-2H3,(H,21,26)/t18-/m0/s1
InChIKeyIIHSKSZSIWIRTB-SFHVURJKSA-N
XLogP2.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4R)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N,N-dipropylacetamide
CID 125128562
N-butyl-N-ethyl-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125126489
N,N-diethyl-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128634
2-[(4R)-4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N,N-dipropylacetamide
CID 95394606
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
CID 91894858
2-[(4R)-4-(4-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128970
(4R)-1-butyl-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 99745340
2-[(4S)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-phenylacetamide
CID 99743571
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-phenylacetamide
CID 91894862
2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
CID 99747880
(4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 125128449
2-[4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 91894966

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide?
The IUPAC name of N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide (CID 99739190) is N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide?
The canonical SMILES for N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide is CCCCN(CC)C(=O)CN1C(=O)N[C@@H](c2ccccc2)C2=C1COC2=O.
What is the InChIKey of N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide?
The InChIKey is IIHSKSZSIWIRTB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-5-11-22(4-2)16(24)12-23-15-13-27-19(25)17(15)18(21-20(23)26)14-9-7-6-8-10-14/h6-10,18H,3-5,11-13H2,1-2H3,(H,21,26)/t18-/m0/s1.
What are the key properties of N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide?
N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide has a molecular weight of 371.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 99739190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).