N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide

C24H24N2O3 — CID 2136203

IUPACN-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C24H24N2O3/c1-17(27)25(2)18-11-13-20(14-12-18)29-16-19(28)15-26-23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,19,28H,15-16H2,1-2H3/t19-/m0/s1
InChIKeyUQEMAXKNMDGAPW-IBGZPJMESA-N
MW388.47 g/mol
LogP4.22
Rot. Bonds6

About N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide

N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide (PubChem CID 2136203) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide
PubChem CID2136203
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C24H24N2O3/c1-17(27)25(2)18-11-13-20(14-12-18)29-16-19(28)15-26-23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,19,28H,15-16H2,1-2H3/t19-/m0/s1
InChIKeyUQEMAXKNMDGAPW-IBGZPJMESA-N
XLogP4.22
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide
CID 1326749
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42890527
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
N-[4-[(2R)-2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propoxy]phenyl]-N-methylacetamide
CID 2140050
N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide
CID 4199818
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
CID 52916664
(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol
CID 2053269
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728
1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42947275
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
CID 53276332
N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide
CID 1400481

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide (CID 2136203) is N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide?
The InChIKey is UQEMAXKNMDGAPW-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17(27)25(2)18-11-13-20(14-12-18)29-16-19(28)15-26-23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,19,28H,15-16H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide?
N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide has a molecular weight of 388.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide is sourced from PubChem (CID 2136203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).