N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide

C30H33N3O3 — CID 25291916

IUPACN-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(CNCc2ccc3c(c2)Cc2ccccc2-3)cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C30H33N3O3/c1-19-17-33(18-20(2)36-19)30(35)26-11-23(12-27(14-26)32-21(3)34)16-31-15-22-8-9-29-25(10-22)13-24-6-4-5-7-28(24)29/h4-12,14,19-20,31H,13,15-18H2,1-3H3,(H,32,34)/t19-,20+
InChIKeyCYFGMVUNWNUVPA-BGYRXZFFSA-N
MW483.61 g/mol
LogP4.76
Rot. Bonds6

About N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide

N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide (PubChem CID 25291916) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide
PubChem CID25291916
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC NameN-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(CNCc2ccc3c(c2)Cc2ccccc2-3)cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C30H33N3O3/c1-19-17-33(18-20(2)36-19)30(35)26-11-23(12-27(14-26)32-21(3)34)16-31-15-22-8-9-29-25(10-22)13-24-6-4-5-7-28(24)29/h4-12,14,19-20,31H,13,15-18H2,1-3H3,(H,32,34)/t19-,20+
InChIKeyCYFGMVUNWNUVPA-BGYRXZFFSA-N
XLogP4.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide (CID 25291916) is N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide is CC(=O)Nc1cc(CNCc2ccc3c(c2)Cc2ccccc2-3)cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide?
The InChIKey is CYFGMVUNWNUVPA-BGYRXZFFSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-19-17-33(18-20(2)36-19)30(35)26-11-23(12-27(14-26)32-21(3)34)16-31-15-22-8-9-29-25(10-22)13-24-6-4-5-7-28(24)29/h4-12,14,19-20,31H,13,15-18H2,1-3H3,(H,32,34)/t19-,20+.
What are the key properties of N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide?
N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide has a molecular weight of 483.61 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 25291916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).