CID 164916965

C27H37AlN4O — CID 164916965

IUPAC—
SMILESCN(C)C(=O)C(CCN1CCC[C@H]1CN1CCN([Al])CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H37N4O.Al/c1-29(2)26(32)27(23-10-5-3-6-11-23,24-12-7-4-8-13-24)15-19-31-18-9-14-25(31)22-30-20-16-28-17-21-30;/h3-8,10-13,25H,9,14-22H2,1-2H3;/q-1;+1/t25-;/m0./s1
InChIKeyGPLLPXRWPPBYDR-UQIIZPHYSA-N
MW460.60 g/mol
LogP2.62
Rot. Bonds8

About CID 164916965

CID 164916965 (PubChem CID 164916965) has the molecular formula C27H37AlN4O and a molecular weight of 460.60 g/mol.

Molecular Properties

Compound NameCID 164916965
PubChem CID164916965
Molecular FormulaC27H37AlN4O
Molecular Weight460.60 g/mol
Exact Mass460.28
IUPAC Name—
SMILESCN(C)C(=O)C(CCN1CCC[C@H]1CN1CCN([Al])CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H37N4O.Al/c1-29(2)26(32)27(23-10-5-3-6-11-23,24-12-7-4-8-13-24)15-19-31-18-9-14-25(31)22-30-20-16-28-17-21-30;/h3-8,10-13,25H,9,14-22H2,1-2H3;/q-1;+1/t25-;/m0./s1
InChIKeyGPLLPXRWPPBYDR-UQIIZPHYSA-N
XLogP2.62
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(2-methylpiperidin-1-yl)-2,2-diphenylbutanamide
CID 57291620
N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane
CID 142899302
4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
CID 91356446
4-[(1R,13S)-4,13-dihydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-N,N-dimethyl-2,2-diphenylbutanamide
CID 90123095
4-[bis(2-chloroethyl)amino]-N,N-dimethyl-2,2-diphenylbutanamide
CID 11524308
N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide
CID 3030672
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 79309724
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
4-[4-[[2-(2,6-dichloroanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
CID 139908106
4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid
CID 62889995
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734

Frequently Asked Questions

What is the IUPAC name of CID 164916965?
The IUPAC name of CID 164916965 (CID 164916965) is not available.
What is the SMILES notation for CID 164916965?
The canonical SMILES for CID 164916965 is CN(C)C(=O)C(CCN1CCC[C@H]1CN1CCN([Al])CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 164916965?
The InChIKey is GPLLPXRWPPBYDR-UQIIZPHYSA-N. The full InChI is InChI=1S/C27H37N4O.Al/c1-29(2)26(32)27(23-10-5-3-6-11-23,24-12-7-4-8-13-24)15-19-31-18-9-14-25(31)22-30-20-16-28-17-21-30;/h3-8,10-13,25H,9,14-22H2,1-2H3;/q-1;+1/t25-;/m0./s1.
What are the key properties of CID 164916965?
CID 164916965 has a molecular weight of 460.60 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164916965 is sourced from PubChem (CID 164916965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).