N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide

C29H34N2O2 — CID 166857972

IUPACN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide
SMILESCC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H34N2O2/c1-29(2,3)19-30-18-26(32)25(17-20-11-5-4-6-12-20)31-28(33)27-23-15-9-7-13-21(23)22-14-8-10-16-24(22)27/h4-16,25-27,30,32H,17-19H2,1-3H3,(H,31,33)/t25-,26+/m0/s1
InChIKeyVBENCYXXTIPXRY-IZZNHLLZSA-N
MW442.60 g/mol
LogP4.52
Rot. Bonds8

About N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide

N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide (PubChem CID 166857972) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide
PubChem CID166857972
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC NameN-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide
SMILESCC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H34N2O2/c1-29(2,3)19-30-18-26(32)25(17-20-11-5-4-6-12-20)31-28(33)27-23-15-9-7-13-21(23)22-14-8-10-16-24(22)27/h4-16,25-27,30,32H,17-19H2,1-3H3,(H,31,33)/t25-,26+/m0/s1
InChIKeyVBENCYXXTIPXRY-IZZNHLLZSA-N
XLogP4.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 155920141
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CID 10143073
1-N-[(2S,3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 68610244
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2-(9H-fluoren-9-yl)-N-[4-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]butyl]acetamide
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N-[(2S,3S)-4-(tert-butylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
CID 164615874
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CID 164615921

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide?
The IUPAC name of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide (CID 166857972) is N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide?
The canonical SMILES for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide is CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide?
The InChIKey is VBENCYXXTIPXRY-IZZNHLLZSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-29(2,3)19-30-18-26(32)25(17-20-11-5-4-6-12-20)31-28(33)27-23-15-9-7-13-21(23)22-14-8-10-16-24(22)27/h4-16,25-27,30,32H,17-19H2,1-3H3,(H,31,33)/t25-,26+/m0/s1.
What are the key properties of N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide?
N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-(2,2-dimethylpropylamino)-3-hydroxy-1-phenylbutan-2-yl]-9H-fluorene-9-carboxamide is sourced from PubChem (CID 166857972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).