N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide

C24H31N3O3 — CID 134057540

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C24H31N3O3/c1-24(2,3)23(29)26-20-11-7-10-19(14-20)22(28)25-15-21-17-27(12-13-30-21)16-18-8-5-4-6-9-18/h4-11,14,21H,12-13,15-17H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyKBUHLLLUXIDRIC-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.30
Rot. Bonds6

About N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide

N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 134057540) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID134057540
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C24H31N3O3/c1-24(2,3)23(29)26-20-11-7-10-19(14-20)22(28)25-15-21-17-27(12-13-30-21)16-18-8-5-4-6-9-18/h4-11,14,21H,12-13,15-17H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyKBUHLLLUXIDRIC-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(3-bromophenyl)thiourea
CID 9235708
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27809533

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide (CID 134057540) is N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NCC2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is KBUHLLLUXIDRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-24(2,3)23(29)26-20-11-7-10-19(14-20)22(28)25-15-21-17-27(12-13-30-21)16-18-8-5-4-6-9-18/h4-11,14,21H,12-13,15-17H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide?
N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 134057540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).