(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide

C16H24N4O5 — CID 6723546

IUPAC(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
SMILESCc1cn(CC(=O)N[C@@H](CO)C(=O)NC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N4O5/c1-10-7-20(16(25)19-14(10)23)8-13(22)18-12(9-21)15(24)17-11-5-3-2-4-6-11/h7,11-12,21H,2-6,8-9H2,1H3,(H,17,24)(H,18,22)(H,19,23,25)/t12-/m0/s1
InChIKeyNDLAHWZNVJXZFB-LBPRGKRZSA-N
MW352.39 g/mol
LogP-1.23
Rot. Bonds6

About (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide

(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide (PubChem CID 6723546) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
PubChem CID6723546
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
SMILESCc1cn(CC(=O)N[C@@H](CO)C(=O)NC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N4O5/c1-10-7-20(16(25)19-14(10)23)8-13(22)18-12(9-21)15(24)17-11-5-3-2-4-6-11/h7,11-12,21H,2-6,8-9H2,1H3,(H,17,24)(H,18,22)(H,19,23,25)/t12-/m0/s1
InChIKeyNDLAHWZNVJXZFB-LBPRGKRZSA-N
XLogP-1.23
TPSA133.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60734726
N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56884269
N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide
CID 154787984
2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenyl-N-[(3R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 71109313
N-[1-[[2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenylpropanamide
CID 123325772
(2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 90182093
(2R)-6-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 100941832
N-[1-(cyclohexen-1-yl)ethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 131917992
N-cyclohexyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 51351835
(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724215
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 6723761
N-cyclooctyl-2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetamide
CID 91639863

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide (CID 6723546) is (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide is Cc1cn(CC(=O)N[C@@H](CO)C(=O)NC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide?
The InChIKey is NDLAHWZNVJXZFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-10-7-20(16(25)19-14(10)23)8-13(22)18-12(9-21)15(24)17-11-5-3-2-4-6-11/h7,11-12,21H,2-6,8-9H2,1H3,(H,17,24)(H,18,22)(H,19,23,25)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide?
(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide has a molecular weight of 352.39 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 6723546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).