N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide

C22H27N3O3 — CID 69101139

IUPACN-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCOC/C=C/c1ccc(N)c(NC(=O)c2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-27-12-2-3-17-6-9-20(23)21(15-17)24-22(26)19-7-4-18(5-8-19)16-25-10-13-28-14-11-25/h2-9,15H,10-14,16,23H2,1H3,(H,24,26)/b3-2+
InChIKeyJZMXMNWGFDHJQT-NSCUHMNNSA-N
MW381.48 g/mol
LogP3.01
Rot. Bonds7

About N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide

N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 69101139) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID69101139
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCOC/C=C/c1ccc(N)c(NC(=O)c2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-27-12-2-3-17-6-9-20(23)21(15-17)24-22(26)19-7-4-18(5-8-19)16-25-10-13-28-14-11-25/h2-9,15H,10-14,16,23H2,1H3,(H,24,26)/b3-2+
InChIKeyJZMXMNWGFDHJQT-NSCUHMNNSA-N
XLogP3.01
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide (CID 69101139) is N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide is COC/C=C/c1ccc(N)c(NC(=O)c2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is JZMXMNWGFDHJQT-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-12-2-3-17-6-9-20(23)21(15-17)24-22(26)19-7-4-18(5-8-19)16-25-10-13-28-14-11-25/h2-9,15H,10-14,16,23H2,1H3,(H,24,26)/b3-2+.
What are the key properties of N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[(E)-3-methoxyprop-1-enyl]phenyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 69101139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).