N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide

C16H25N3O2 — CID 43544268

IUPACN-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2ccc(CN)cc2)C(C)CO1
InChIInChI=1S/C16H25N3O2/c1-11-10-21-12(2)9-19(11)13(3)16(20)18-15-6-4-14(8-17)5-7-15/h4-7,11-13H,8-10,17H2,1-3H3,(H,18,20)
InChIKeySMRVWWHWSIHQRY-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.58
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide

N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide (PubChem CID 43544268) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide
PubChem CID43544268
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2ccc(CN)cc2)C(C)CO1
InChIInChI=1S/C16H25N3O2/c1-11-10-21-12(2)9-19(11)13(3)16(20)18-15-6-4-14(8-17)5-7-15/h4-7,11-13H,8-10,17H2,1-3H3,(H,18,20)
InChIKeySMRVWWHWSIHQRY-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-(4-aminophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81195909
N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544182
N-(4-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544196
N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544200
N-[4-(aminomethyl)phenyl]-5-ethyl-2-methylmorpholine-4-carboxamide
CID 61424962
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562386
N-[4-(aminomethyl)phenyl]-2-(5-ethyl-2-methylmorpholin-4-yl)acetamide
CID 43575816
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 55213909
N-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46527680
2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one
CID 43796467
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-methylpropanamide
CID 81216899
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide (CID 43544268) is N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide is CC1CN(C(C)C(=O)Nc2ccc(CN)cc2)C(C)CO1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide?
The InChIKey is SMRVWWHWSIHQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-10-21-12(2)9-19(11)13(3)16(20)18-15-6-4-14(8-17)5-7-15/h4-7,11-13H,8-10,17H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide?
N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.58, 4 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-(2,5-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43544268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).