13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide

C18H30N4O2 — CID 118742280

IUPAC13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CN(CC1CC1)CC21CCNC1=O
InChIInChI=1S/C18H30N4O2/c1-20(2)16(24)22-9-6-17(7-10-22)12-21(11-14-3-4-14)13-18(17)5-8-19-15(18)23/h14H,3-13H2,1-2H3,(H,19,23)
InChIKeyFARYFSKKWXVAKV-UHFFFAOYSA-N
MW334.46 g/mol
LogP0.98
Rot. Bonds2

About 13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide

13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide (PubChem CID 118742280) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide.

Molecular Properties

Compound Name13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
PubChem CID118742280
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CN(CC1CC1)CC21CCNC1=O
InChIInChI=1S/C18H30N4O2/c1-20(2)16(24)22-9-6-17(7-10-22)12-21(11-14-3-4-14)13-18(17)5-8-19-15(18)23/h14H,3-13H2,1-2H3,(H,19,23)
InChIKeyFARYFSKKWXVAKV-UHFFFAOYSA-N
XLogP0.98
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The IUPAC name of 13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide (CID 118742280) is 13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide.
What is the SMILES notation for 13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The canonical SMILES for 13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide is CN(C)C(=O)N1CCC2(CC1)CN(CC1CC1)CC21CCNC1=O.
What is the InChIKey of 13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The InChIKey is FARYFSKKWXVAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-20(2)16(24)22-9-6-17(7-10-22)12-21(11-14-3-4-14)13-18(17)5-8-19-15(18)23/h14H,3-13H2,1-2H3,(H,19,23).
What are the key properties of 13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide is sourced from PubChem (CID 118742280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).