N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide

C24H29N3O2 — CID 89098778

IUPACN-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCOc1ccccc1Cn1c2c(c3cc(N)ccc31)CC(NC(=O)C(C)C)CC2
InChIInChI=1S/C24H29N3O2/c1-15(2)24(28)26-18-9-11-22-20(13-18)19-12-17(25)8-10-21(19)27(22)14-16-6-4-5-7-23(16)29-3/h4-8,10,12,15,18H,9,11,13-14,25H2,1-3H3,(H,26,28)
InChIKeyOMSJAHCZRCPUAB-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.91
Rot. Bonds5

About N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide

N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (PubChem CID 89098778) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
PubChem CID89098778
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCOc1ccccc1Cn1c2c(c3cc(N)ccc31)CC(NC(=O)C(C)C)CC2
InChIInChI=1S/C24H29N3O2/c1-15(2)24(28)26-18-9-11-22-20(13-18)19-12-17(25)8-10-21(19)27(22)14-16-6-4-5-7-23(16)29-3/h4-8,10,12,15,18H,9,11,13-14,25H2,1-3H3,(H,26,28)
InChIKeyOMSJAHCZRCPUAB-UHFFFAOYSA-N
XLogP3.91
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 68528189
N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 57479604
propan-2-yl N-[(2S)-7-amino-4-[(5-fluoro-2-hydroxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 89117726
2-[(3S)-6-fluoro-3-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811814
N-[9-[(5-chlorothiophen-2-yl)methyl]-6-cyano-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 59161214
2-[(3R)-6-fluoro-3-[(2-phenylacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 25024636
2-[6-fluoro-3-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811952
2-[(3S)-8-chloro-6-fluoro-3-[3-(2-methoxyphenyl)propanoylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811743
2-[8-chloro-6-fluoro-3-[3-(2-methoxyphenyl)propanoylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811744
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 119763945
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (CID 89098778) is N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is COc1ccccc1Cn1c2c(c3cc(N)ccc31)CC(NC(=O)C(C)C)CC2.
What is the InChIKey of N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The InChIKey is OMSJAHCZRCPUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-15(2)24(28)26-18-9-11-22-20(13-18)19-12-17(25)8-10-21(19)27(22)14-16-6-4-5-7-23(16)29-3/h4-8,10,12,15,18H,9,11,13-14,25H2,1-3H3,(H,26,28).
What are the key properties of N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide has a molecular weight of 391.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-9-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 89098778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).