2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide

C19H23ClN2O3 — CID 13030863

IUPAC2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCCNCC(O)COc1ccccc1
InChIInChI=1S/C19H23ClN2O3/c20-18-9-5-4-6-15(18)12-19(24)22-11-10-21-13-16(23)14-25-17-7-2-1-3-8-17/h1-9,16,21,23H,10-14H2,(H,22,24)
InChIKeyPEFMYPBIKFUWCE-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.03
Rot. Bonds10

About 2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide

2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide (PubChem CID 13030863) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide
PubChem CID13030863
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCCNCC(O)COc1ccccc1
InChIInChI=1S/C19H23ClN2O3/c20-18-9-5-4-6-15(18)12-19(24)22-11-10-21-13-16(23)14-25-17-7-2-1-3-8-17/h1-9,16,21,23H,10-14H2,(H,22,24)
InChIKeyPEFMYPBIKFUWCE-UHFFFAOYSA-N
XLogP2.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
CID 13030874
1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol
CID 3054449
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
CID 70545546
1-(4-chlorophenoxy)-3-[(2-chlorophenyl)methylamino]propan-2-ol
CID 60635463
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83120734
(2R)-1-[2-[(R)-(4-chlorophenyl)sulfinyl]ethylamino]-3-phenoxypropan-2-ol
CID 129396483
7-[(2-hydroxy-3-phenoxypropyl)amino]heptanoic acid
CID 3304910

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide (CID 13030863) is 2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide is O=C(Cc1ccccc1Cl)NCCNCC(O)COc1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide?
The InChIKey is PEFMYPBIKFUWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c20-18-9-5-4-6-15(18)12-19(24)22-11-10-21-13-16(23)14-25-17-7-2-1-3-8-17/h1-9,16,21,23H,10-14H2,(H,22,24).
What are the key properties of 2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide?
2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide has a molecular weight of 362.86 g/mol, XLogP of 2.03, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide is sourced from PubChem (CID 13030863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).