N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide

C14H21N3O2 — CID 16779088

IUPACN-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
SMILESNCc1ccc(NC(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C14H21N3O2/c15-11-12-1-3-13(4-2-12)16-14(18)5-6-17-7-9-19-10-8-17/h1-4H,5-11,15H2,(H,16,18)
InChIKeyUYLQQWKCZZAFIG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.81
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide

N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 16779088) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
PubChem CID16779088
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
SMILESNCc1ccc(NC(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C14H21N3O2/c15-11-12-1-3-13(4-2-12)16-14(18)5-6-17-7-9-19-10-8-17/h1-4H,5-11,15H2,(H,16,18)
InChIKeyUYLQQWKCZZAFIG-UHFFFAOYSA-N
XLogP0.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592490
N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide
CID 174693151
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
N-[4-(difluoromethylsulfanyl)phenyl]-3-morpholin-4-ylpropanamide
CID 136580272
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920
3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16784105
3-(4-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 46683230

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide (CID 16779088) is N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide is NCc1ccc(NC(=O)CCN2CCOCC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is UYLQQWKCZZAFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-11-12-1-3-13(4-2-12)16-14(18)5-6-17-7-9-19-10-8-17/h1-4H,5-11,15H2,(H,16,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide?
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.81, 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]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 16779088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).