N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C16H22N4O4 — CID 93235652

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@@H](c1ccco1)N(C)C
InChIInChI=1S/C16H22N4O4/c1-10-11(15(22)19-16(23)18-10)6-7-14(21)17-9-12(20(2)3)13-5-4-8-24-13/h4-5,8,12H,6-7,9H2,1-3H3,(H,17,21)(H2,18,19,22,23)/t12-/m0/s1
InChIKeyQYEFYVZKLSWJFG-LBPRGKRZSA-N
MW334.38 g/mol
LogP0.32
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 93235652) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID93235652
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@@H](c1ccco1)N(C)C
InChIInChI=1S/C16H22N4O4/c1-10-11(15(22)19-16(23)18-10)6-7-14(21)17-9-12(20(2)3)13-5-4-8-24-13/h4-5,8,12H,6-7,9H2,1-3H3,(H,17,21)(H2,18,19,22,23)/t12-/m0/s1
InChIKeyQYEFYVZKLSWJFG-LBPRGKRZSA-N
XLogP0.32
TPSA111.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 43005118
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43019245
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 43044850
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 55454336
2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226
N-(3,3-difluoro-2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 103769787
N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865391
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 26819035
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 19114396
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110302093

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 93235652) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@@H](c1ccco1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is QYEFYVZKLSWJFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-10-11(15(22)19-16(23)18-10)6-7-14(21)17-9-12(20(2)3)13-5-4-8-24-13/h4-5,8,12H,6-7,9H2,1-3H3,(H,17,21)(H2,18,19,22,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 334.38 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 93235652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).