CID 140701734

C27H50N4O5 — CID 140701734

IUPAC—
SMILESCCOC(=O)CCCCCN(C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C27H50N4O5/c1-10-36-22(32)14-12-11-13-15-29(21-18-26(6,7)31(35)27(8,9)19-21)23(33)28-20-16-24(2,3)30(34)25(4,5)17-20/h20-21H,10-19H2,1-9H3,(H,28,33)
InChIKeyBJWLBDZAGSHXTG-UHFFFAOYSA-N
MW510.72 g/mol
LogP4.86
Rot. Bonds9

About CID 140701734

CID 140701734 (PubChem CID 140701734) has the molecular formula C27H50N4O5 and a molecular weight of 510.72 g/mol.

Molecular Properties

Compound NameCID 140701734
PubChem CID140701734
Molecular FormulaC27H50N4O5
Molecular Weight510.72 g/mol
Exact Mass510.38
IUPAC Name—
SMILESCCOC(=O)CCCCCN(C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C27H50N4O5/c1-10-36-22(32)14-12-11-13-15-29(21-18-26(6,7)31(35)27(8,9)19-21)23(33)28-20-16-24(2,3)30(34)25(4,5)17-20/h20-21H,10-19H2,1-9H3,(H,28,33)
InChIKeyBJWLBDZAGSHXTG-UHFFFAOYSA-N
XLogP4.86
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.72
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 140701738
CID 140701738
CID 101170549
CID 101170549
CID 153419566
CID 153419566
3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1-pent-4-ynylurea
CID 163547591
CID 58729260
CID 58729260
diethyl icosanedioate
CID 5058538
ethyl 7-(dimethylamino)heptanoate
CID 170069476
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
CID 62698175
diethyl hexanedioate
CID 160747628
CID 140694935
CID 140694935
N,N'-dibutyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexanediamide
CID 87648886
sodium;diethyl decanedioate;hydride
CID 173076435

Frequently Asked Questions

What is the IUPAC name of CID 140701734?
The IUPAC name of CID 140701734 (CID 140701734) is not available.
What is the SMILES notation for CID 140701734?
The canonical SMILES for CID 140701734 is CCOC(=O)CCCCCN(C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)C1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 140701734?
The InChIKey is BJWLBDZAGSHXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N4O5/c1-10-36-22(32)14-12-11-13-15-29(21-18-26(6,7)31(35)27(8,9)19-21)23(33)28-20-16-24(2,3)30(34)25(4,5)17-20/h20-21H,10-19H2,1-9H3,(H,28,33).
What are the key properties of CID 140701734?
CID 140701734 has a molecular weight of 510.72 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140701734 is sourced from PubChem (CID 140701734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).