2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide

C21H32N2O2 — CID 177144313

IUPAC2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide
SMILESCC(C)C1=C2C3=CC=C(CNC(=O)CN)CC(O)C3CCC2(C)CC1
InChIInChI=1S/C21H32N2O2/c1-13(2)15-6-8-21(3)9-7-16-17(20(15)21)5-4-14(10-18(16)24)12-23-19(25)11-22/h4-5,13,16,18,24H,6-12,22H2,1-3H3,(H,23,25)
InChIKeyIZPYMRMVUNNIAV-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.84
Rot. Bonds4

About 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide

2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide (PubChem CID 177144313) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide
PubChem CID177144313
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide
SMILESCC(C)C1=C2C3=CC=C(CNC(=O)CN)CC(O)C3CCC2(C)CC1
InChIInChI=1S/C21H32N2O2/c1-13(2)15-6-8-21(3)9-7-16-17(20(15)21)5-4-14(10-18(16)24)12-23-19(25)11-22/h4-5,13,16,18,24H,6-12,22H2,1-3H3,(H,23,25)
InChIKeyIZPYMRMVUNNIAV-UHFFFAOYSA-N
XLogP2.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide with MolForge

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Related Compounds

N-[3-(dimethylamino)propyl]-6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]indene-8-carboxamide
CID 177144137
2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]propanamide
CID 177144148
8-[(2-hydroxyethylamino)methyl]-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-6-ol
CID 177144168
(3aS,5aR,6S)-8-[(2-hydroxyethylamino)methyl]-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-6-ol
CID 177144198
N-[[(3aS,5aR,6S)-6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl]methyl]cyclobutanecarboxamide
CID 177144273
N-[(6-methoxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]aziridine-2-carboxamide
CID 177144297
N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]aziridine-2-carboxamide
CID 177144307
(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methylurea
CID 177144329

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide (CID 177144313) is 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide is CC(C)C1=C2C3=CC=C(CNC(=O)CN)CC(O)C3CCC2(C)CC1.
What is the InChIKey of 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide?
The InChIKey is IZPYMRMVUNNIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-13(2)15-6-8-21(3)9-7-16-17(20(15)21)5-4-14(10-18(16)24)12-23-19(25)11-22/h4-5,13,16,18,24H,6-12,22H2,1-3H3,(H,23,25).
What are the key properties of 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide?
2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-hydroxy-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-8-yl)methyl]acetamide is sourced from PubChem (CID 177144313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).