2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide

C38H59N3O3 — CID 21015740

IUPAC2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(NC(=O)COc1ccc2c(c1)[nH]c1ccccc12)C(C)CC
InChIInChI=1S/C38H59N3O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-39-38(43)37(30(3)5-2)41-36(42)29-44-31-25-26-33-32-23-20-21-24-34(32)40-35(33)28-31/h20-21,23-26,28,30,37,40H,4-19,22,27,29H2,1-3H3,(H,39,43)(H,41,42)
InChIKeyJBCUGZLPTQDMBU-UHFFFAOYSA-N
MW605.91 g/mol
LogP9.61
Rot. Bonds24

About 2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide

2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide (PubChem CID 21015740) has the molecular formula C38H59N3O3 and a molecular weight of 605.91 g/mol. Its IUPAC name is 2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide.

Molecular Properties

Compound Name2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide
PubChem CID21015740
Molecular FormulaC38H59N3O3
Molecular Weight605.91 g/mol
Exact Mass605.46
IUPAC Name2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(NC(=O)COc1ccc2c(c1)[nH]c1ccccc12)C(C)CC
InChIInChI=1S/C38H59N3O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-39-38(43)37(30(3)5-2)41-36(42)29-44-31-25-26-33-32-23-20-21-24-34(32)40-35(33)28-31/h20-21,23-26,28,30,37,40H,4-19,22,27,29H2,1-3H3,(H,39,43)(H,41,42)
InChIKeyJBCUGZLPTQDMBU-UHFFFAOYSA-N
XLogP9.61
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.91
LogP ≤ 59.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(9H-carbazol-2-yloxy)acetamide
CID 7714244
2-(9H-carbazol-2-yloxy)-N-phenylacetamide
CID 7714190
3-methyl-2-(pentanoylamino)-N-tricosylpentanamide
CID 88904969
N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide
CID 154170540
N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide
CID 42703705
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide
CID 42703989
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylpentanoate
CID 86977054
3-[[2-(dodecanoylamino)-3-[hydroxy-[2-[[(2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoyl]amino]ethoxy]phosphoryl]oxypropanoyl]amino]propyl hexadecanoate
CID 58841958
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
N-[(2R,3S)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 172948494

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide?
The IUPAC name of 2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide (CID 21015740) is 2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide.
What is the SMILES notation for 2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide?
The canonical SMILES for 2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide is CCCCCCCCCCCCCCCCCCNC(=O)C(NC(=O)COc1ccc2c(c1)[nH]c1ccccc12)C(C)CC.
What is the InChIKey of 2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide?
The InChIKey is JBCUGZLPTQDMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H59N3O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-39-38(43)37(30(3)5-2)41-36(42)29-44-31-25-26-33-32-23-20-21-24-34(32)40-35(33)28-31/h20-21,23-26,28,30,37,40H,4-19,22,27,29H2,1-3H3,(H,39,43)(H,41,42).
What are the key properties of 2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide?
2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide has a molecular weight of 605.91 g/mol, XLogP of 9.61, 24 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide is sourced from PubChem (CID 21015740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).