(3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide

C13H27N3O2 — CID 46898193

IUPAC(3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCC[C@H](C)C(NC)C(=O)NCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-4-11(2)12(14-3)13(17)15-5-6-16-7-9-18-10-8-16/h11-12,14H,4-10H2,1-3H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyMUTCWFYLXCSSDX-PXYINDEMSA-N
MW257.38 g/mol
LogP0.07
Rot. Bonds7

About (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide

(3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 46898193) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name(3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID46898193
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCC[C@H](C)C(NC)C(=O)NCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-4-11(2)12(14-3)13(17)15-5-6-16-7-9-18-10-8-16/h11-12,14H,4-10H2,1-3H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyMUTCWFYLXCSSDX-PXYINDEMSA-N
XLogP0.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide with MolForge

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Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
Morpholine-4-carboxylic acid [1-(cyanomethyl-carbamoyl)-3-methyl-butyl]-amide
CID 11098017
LM11A-31
CID 18604758
Morpholine-4-carboxylic acid {1-[(cyano-methyl-methyl)-carbamoyl]-3-methyl-butyl}-amide
CID 10990120
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704
4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
2-Propyl-pentanoic acid (2-morpholin-4-yl-ethyl)-amide
CID 6602917
(3S,6S)-3-[(2S)-butan-2-yl]-6-propan-2-ylpiperazine-2,5-dione
CID 12086127
3,6-Di-sec-butylpiperazine-2,5-dione
CID 3252652
2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide (CID 46898193) is (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide is CC[C@H](C)C(NC)C(=O)NCCN1CCOCC1.
What is the InChIKey of (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is MUTCWFYLXCSSDX-PXYINDEMSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-11(2)12(14-3)13(17)15-5-6-16-7-9-18-10-8-16/h11-12,14H,4-10H2,1-3H3,(H,15,17)/t11-,12?/m0/s1.
What are the key properties of (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide?
(3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 46898193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).