N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide

C16H25N3O2 — CID 43562386

IUPACN-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
SMILESCCC1CN(C(C)C(=O)Nc2ccc(CN)cc2)CCO1
InChIInChI=1S/C16H25N3O2/c1-3-15-11-19(8-9-21-15)12(2)16(20)18-14-6-4-13(10-17)5-7-14/h4-7,12,15H,3,8-11,17H2,1-2H3,(H,18,20)
InChIKeyNVNIJEPCFZPHSF-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.58
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide

N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide (PubChem CID 43562386) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
PubChem CID43562386
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
SMILESCCC1CN(C(C)C(=O)Nc2ccc(CN)cc2)CCO1
InChIInChI=1S/C16H25N3O2/c1-3-15-11-19(8-9-21-15)12(2)16(20)18-14-6-4-13(10-17)5-7-14/h4-7,12,15H,3,8-11,17H2,1-2H3,(H,18,20)
InChIKeyNVNIJEPCFZPHSF-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
N-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46527680
(2S)-N-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 95282446
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 124742294
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590166
N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797242
N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372637
N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544268
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one
CID 43796552
2-[2-(aminomethyl)morpholin-4-yl]-N-cyclopropylpropanamide
CID 61338383

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide (CID 43562386) is N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide is CCC1CN(C(C)C(=O)Nc2ccc(CN)cc2)CCO1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide?
The InChIKey is NVNIJEPCFZPHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-15-11-19(8-9-21-15)12(2)16(20)18-14-6-4-13(10-17)5-7-14/h4-7,12,15H,3,8-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide?
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43562386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).