CID 145484267

C16H27N2O3Pb — CID 145484267

IUPAC—
SMILESCCCCCN(CC(O)C(N)C[Pb])Oc1cccc(OC)c1
InChIInChI=1S/C16H27N2O3.Pb/c1-4-5-6-10-18(12-16(19)13(2)17)21-15-9-7-8-14(11-15)20-3;/h7-9,11,13,16,19H,2,4-6,10,12,17H2,1,3H3;
InChIKeyOQABRLKFDZOARP-UHFFFAOYSA-N
MW502.60 g/mol
LogP1.76
Rot. Bonds11

About CID 145484267

CID 145484267 (PubChem CID 145484267) has the molecular formula C16H27N2O3Pb and a molecular weight of 502.60 g/mol.

Molecular Properties

Compound NameCID 145484267
PubChem CID145484267
Molecular FormulaC16H27N2O3Pb
Molecular Weight502.60 g/mol
Exact Mass503.18
IUPAC Name—
SMILESCCCCCN(CC(O)C(N)C[Pb])Oc1cccc(OC)c1
InChIInChI=1S/C16H27N2O3.Pb/c1-4-5-6-10-18(12-16(19)13(2)17)21-15-9-7-8-14(11-15)20-3;/h7-9,11,13,16,19H,2,4-6,10,12,17H2,1,3H3;
InChIKeyOQABRLKFDZOARP-UHFFFAOYSA-N
XLogP1.76
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methanamine;1-oxopropan-2-yl N-[4-[butyl-(3-methoxyphenoxy)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 145484334
2-formamidoethyl N-[4-[butyl-(3-methoxyphenoxy)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 145484338
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
N-[(2R,3S)-3-amino-2-methyl-4-phenylbutyl]-3-methoxy-N-pentylbenzenesulfonamide
CID 145484327
3-(3-methoxy-N-pentylanilino)-2-methylpropanoic acid
CID 82318197
(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide
CID 107145312
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
1-(3-methoxyphenyl)-1-pentylsulfanylbutan-2-amine
CID 107748451
ethyl 2-(3-methoxyphenyl)-3-oxooctanoate
CID 54216163

Frequently Asked Questions

What is the IUPAC name of CID 145484267?
The IUPAC name of CID 145484267 (CID 145484267) is not available.
What is the SMILES notation for CID 145484267?
The canonical SMILES for CID 145484267 is CCCCCN(CC(O)C(N)C[Pb])Oc1cccc(OC)c1.
What is the InChIKey of CID 145484267?
The InChIKey is OQABRLKFDZOARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N2O3.Pb/c1-4-5-6-10-18(12-16(19)13(2)17)21-15-9-7-8-14(11-15)20-3;/h7-9,11,13,16,19H,2,4-6,10,12,17H2,1,3H3;.
What are the key properties of CID 145484267?
CID 145484267 has a molecular weight of 502.60 g/mol, XLogP of 1.76, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145484267 is sourced from PubChem (CID 145484267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).