N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide

C20H29N5O3 — CID 118783640

IUPACN-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)N(CCO)Cc2c(C)nn(C)c2C)ccc1C
InChIInChI=1S/C20H29N5O3/c1-6-19(27)22-18-11-16(8-7-13(18)2)21-20(28)25(9-10-26)12-17-14(3)23-24(5)15(17)4/h7-8,11,26H,6,9-10,12H2,1-5H3,(H,21,28)(H,22,27)
InChIKeyKOAAURZSXDSULA-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.72
Rot. Bonds7

About N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide (PubChem CID 118783640) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide
PubChem CID118783640
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)N(CCO)Cc2c(C)nn(C)c2C)ccc1C
InChIInChI=1S/C20H29N5O3/c1-6-19(27)22-18-11-16(8-7-13(18)2)21-20(28)25(9-10-26)12-17-14(3)23-24(5)15(17)4/h7-8,11,26H,6,9-10,12H2,1-5H3,(H,21,28)(H,22,27)
InChIKeyKOAAURZSXDSULA-UHFFFAOYSA-N
XLogP2.72
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide (CID 118783640) is N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(NC(=O)N(CCO)Cc2c(C)nn(C)c2C)ccc1C.
What is the InChIKey of N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide?
The InChIKey is KOAAURZSXDSULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-6-19(27)22-18-11-16(8-7-13(18)2)21-20(28)25(9-10-26)12-17-14(3)23-24(5)15(17)4/h7-8,11,26H,6,9-10,12H2,1-5H3,(H,21,28)(H,22,27).
What are the key properties of N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide has a molecular weight of 387.48 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 118783640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).