N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide

C14H21N3O2 — CID 110483735

IUPACN-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NCc1cccc(N)c1)N1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-11(17-5-7-19-8-6-17)14(18)16-10-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyVYOLTCVPYZESRH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.61
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide

N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide (PubChem CID 110483735) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide
PubChem CID110483735
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NCc1cccc(N)c1)N1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-11(17-5-7-19-8-6-17)14(18)16-10-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyVYOLTCVPYZESRH-UHFFFAOYSA-N
XLogP0.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483704
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
N-[2-(2-hydroxyphenyl)ethyl]-2-morpholin-4-ylpropanamide
CID 110483744
2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
CID 43461777
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958888
(2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide
CID 166269989
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide
CID 110446361
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
N-[(3-aminophenyl)methyl]-2-phenylbutanamide
CID 62499796

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide (CID 110483735) is N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide is CC(C(=O)NCc1cccc(N)c1)N1CCOCC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide?
The InChIKey is VYOLTCVPYZESRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(17-5-7-19-8-6-17)14(18)16-10-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10,15H2,1H3,(H,16,18).
What are the key properties of N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide?
N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 110483735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).