N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide

C23H29N3O3 — CID 78772023

IUPACN-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NCC2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C23H29N3O3/c1-17-7-6-10-20(13-17)23(28)25-18(2)22(27)24-14-21-16-26(11-12-29-21)15-19-8-4-3-5-9-19/h3-10,13,18,21H,11-12,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOLFTZCNYVYNWIG-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.13
Rot. Bonds7

About N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 78772023) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID78772023
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NCC2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C23H29N3O3/c1-17-7-6-10-20(13-17)23(28)25-18(2)22(27)24-14-21-16-26(11-12-29-21)15-19-8-4-3-5-9-19/h3-10,13,18,21H,11-12,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOLFTZCNYVYNWIG-UHFFFAOYSA-N
XLogP2.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 43064056
N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057540
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 119829814

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide (CID 78772023) is N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C(=O)NCC2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is OLFTZCNYVYNWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-7-6-10-20(13-17)23(28)25-18(2)22(27)24-14-21-16-26(11-12-29-21)15-19-8-4-3-5-9-19/h3-10,13,18,21H,11-12,14-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 395.50 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-benzylmorpholin-2-yl)methylamino]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 78772023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).