2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide

C21H33N3O3 — CID 92626787

IUPAC2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide
SMILESCc1c(C(=O)NC[C@H](C(C)C)N2CCOCC2)cccc1N1CCOCC1
InChIInChI=1S/C21H33N3O3/c1-16(2)20(24-9-13-27-14-10-24)15-22-21(25)18-5-4-6-19(17(18)3)23-7-11-26-12-8-23/h4-6,16,20H,7-15H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyKSNIUAGECWZLRO-HXUWFJFHSA-N
MW375.51 g/mol
LogP1.92
Rot. Bonds6

About 2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide

2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide (PubChem CID 92626787) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide
PubChem CID92626787
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide
SMILESCc1c(C(=O)NC[C@H](C(C)C)N2CCOCC2)cccc1N1CCOCC1
InChIInChI=1S/C21H33N3O3/c1-16(2)20(24-9-13-27-14-10-24)15-22-21(25)18-5-4-6-19(17(18)3)23-7-11-26-12-8-23/h4-6,16,20H,7-15H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyKSNIUAGECWZLRO-HXUWFJFHSA-N
XLogP1.92
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733
N-(3-methyl-2-morpholin-4-ylbutyl)-2-(thiophene-2-carbonyl)benzamide
CID 55518986
4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide
CID 92626833
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 46975815
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 55520442
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide
CID 55910695
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 55910320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide?
The IUPAC name of 2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide (CID 92626787) is 2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for 2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide?
The canonical SMILES for 2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide is Cc1c(C(=O)NC[C@H](C(C)C)N2CCOCC2)cccc1N1CCOCC1.
What is the InChIKey of 2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide?
The InChIKey is KSNIUAGECWZLRO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16(2)20(24-9-13-27-14-10-24)15-22-21(25)18-5-4-6-19(17(18)3)23-7-11-26-12-8-23/h4-6,16,20H,7-15H2,1-3H3,(H,22,25)/t20-/m1/s1.
What are the key properties of 2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide?
2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide has a molecular weight of 375.51 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 92626787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).