N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide

C23H30N2O3 — CID 145375751

IUPACN-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide
SMILESC=C(NC)C(=O)NCCCCc1ccccc1CCCOc1cccc(O)c1
InChIInChI=1S/C23H30N2O3/c1-18(24-2)23(27)25-15-6-5-11-19-9-3-4-10-20(19)12-8-16-28-22-14-7-13-21(26)17-22/h3-4,7,9-10,13-14,17,24,26H,1,5-6,8,11-12,15-16H2,2H3,(H,25,27)
InChIKeyCVUZUKIIPPHHFO-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.58
Rot. Bonds12

About N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide

N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide (PubChem CID 145375751) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide
PubChem CID145375751
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide
SMILESC=C(NC)C(=O)NCCCCc1ccccc1CCCOc1cccc(O)c1
InChIInChI=1S/C23H30N2O3/c1-18(24-2)23(27)25-15-6-5-11-19-9-3-4-10-20(19)12-8-16-28-22-14-7-13-21(26)17-22/h3-4,7,9-10,13-14,17,24,26H,1,5-6,8,11-12,15-16H2,2H3,(H,25,27)
InChIKeyCVUZUKIIPPHHFO-UHFFFAOYSA-N
XLogP3.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-methylphenyl)butoxy]phenol
CID 175374188
3-[2-(methylamino)ethoxy]phenol
CID 83619980
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339
N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide
CID 175107069
3-(6-phenylhexoxy)phenol
CID 54079626
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548
N-[4-[2-(2-hydroxyethoxy)-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide
CID 160950180
2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
3-dodecoxyphenol
CID 15719132
3-(3-hydroxyphenoxy)propanal
CID 84765037
3-(3-ethylsulfonylpropoxy)phenol
CID 65097968

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide?
The IUPAC name of N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide (CID 145375751) is N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide.
What is the SMILES notation for N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide?
The canonical SMILES for N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide is C=C(NC)C(=O)NCCCCc1ccccc1CCCOc1cccc(O)c1.
What is the InChIKey of N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide?
The InChIKey is CVUZUKIIPPHHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18(24-2)23(27)25-15-6-5-11-19-9-3-4-10-20(19)12-8-16-28-22-14-7-13-21(26)17-22/h3-4,7,9-10,13-14,17,24,26H,1,5-6,8,11-12,15-16H2,2H3,(H,25,27).
What are the key properties of N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide?
N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide has a molecular weight of 382.50 g/mol, XLogP of 3.58, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide is sourced from PubChem (CID 145375751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).