N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

C16H26N4O2 — CID 129478524

IUPACN-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN1CCO[C@@H](CN(CC2CC2)C(=O)Cc2cnn(C)c2)C1
InChIInChI=1S/C16H26N4O2/c1-18-5-6-22-15(11-18)12-20(10-13-3-4-13)16(21)7-14-8-17-19(2)9-14/h8-9,13,15H,3-7,10-12H2,1-2H3/t15-/m1/s1
InChIKeySEHYVVWHCAGTLK-OAHLLOKOSA-N
MW306.41 g/mol
LogP0.53
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 129478524) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID129478524
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN1CCO[C@@H](CN(CC2CC2)C(=O)Cc2cnn(C)c2)C1
InChIInChI=1S/C16H26N4O2/c1-18-5-6-22-15(11-18)12-20(10-13-3-4-13)16(21)7-14-8-17-19(2)9-14/h8-9,13,15H,3-7,10-12H2,1-2H3/t15-/m1/s1
InChIKeySEHYVVWHCAGTLK-OAHLLOKOSA-N
XLogP0.53
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 129478524) is N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is CN1CCO[C@@H](CN(CC2CC2)C(=O)Cc2cnn(C)c2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is SEHYVVWHCAGTLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-5-6-22-15(11-18)12-20(10-13-3-4-13)16(21)7-14-8-17-19(2)9-14/h8-9,13,15H,3-7,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 129478524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).