2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide

C20H35N3O3 — CID 171725361

IUPAC2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCC1CCC(N(C(=O)C(C)C)[C@@H]2CN[C@H](C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C20H35N3O3/c1-14(2)19(24)23(16-6-4-15(3)5-7-16)17-12-18(21-13-17)20(25)22-8-10-26-11-9-22/h14-18,21H,4-13H2,1-3H3/t15?,16?,17-,18-/m0/s1
InChIKeyABQMWKHXFFJCQQ-FOIPXRHGSA-N
MW365.52 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide

2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide (PubChem CID 171725361) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide
PubChem CID171725361
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCC1CCC(N(C(=O)C(C)C)[C@@H]2CN[C@H](C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C20H35N3O3/c1-14(2)19(24)23(16-6-4-15(3)5-7-16)17-12-18(21-13-17)20(25)22-8-10-26-11-9-22/h14-18,21H,4-13H2,1-3H3/t15?,16?,17-,18-/m0/s1
InChIKeyABQMWKHXFFJCQQ-FOIPXRHGSA-N
XLogP1.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide (CID 171725361) is 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide is CC1CCC(N(C(=O)C(C)C)[C@@H]2CN[C@H](C(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide?
The InChIKey is ABQMWKHXFFJCQQ-FOIPXRHGSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-14(2)19(24)23(16-6-4-15(3)5-7-16)17-12-18(21-13-17)20(25)22-8-10-26-11-9-22/h14-18,21H,4-13H2,1-3H3/t15?,16?,17-,18-/m0/s1.
What are the key properties of 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide?
2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide has a molecular weight of 365.52 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 171725361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).