ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide

C19H40N4O3 — CID 154671529

IUPACethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide
SMILESCC.CCCN1CCC1C(=O)NCCN(C)CCNC(=O)COC(C)C
InChIInChI=1S/C17H34N4O3.C2H6/c1-5-9-21-10-6-15(21)17(23)19-8-12-20(4)11-7-18-16(22)13-24-14(2)3;1-2/h14-15H,5-13H2,1-4H3,(H,18,22)(H,19,23);1-2H3
InChIKeyXAJZLHDBSSKPOI-UHFFFAOYSA-N
MW372.55 g/mol
LogP1.09
Rot. Bonds12

About ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide

ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide (PubChem CID 154671529) has the molecular formula C19H40N4O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide
PubChem CID154671529
Molecular FormulaC19H40N4O3
Molecular Weight372.55 g/mol
Exact Mass372.31
IUPAC Nameethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide
SMILESCC.CCCN1CCC1C(=O)NCCN(C)CCNC(=O)COC(C)C
InChIInChI=1S/C17H34N4O3.C2H6/c1-5-9-21-10-6-15(21)17(23)19-8-12-20(4)11-7-18-16(22)13-24-14(2)3;1-2/h14-15H,5-13H2,1-4H3,(H,18,22)(H,19,23);1-2H3
InChIKeyXAJZLHDBSSKPOI-UHFFFAOYSA-N
XLogP1.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide?
The IUPAC name of ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide (CID 154671529) is ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide.
What is the SMILES notation for ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide?
The canonical SMILES for ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide is CC.CCCN1CCC1C(=O)NCCN(C)CCNC(=O)COC(C)C.
What is the InChIKey of ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide?
The InChIKey is XAJZLHDBSSKPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3.C2H6/c1-5-9-21-10-6-15(21)17(23)19-8-12-20(4)11-7-18-16(22)13-24-14(2)3;1-2/h14-15H,5-13H2,1-4H3,(H,18,22)(H,19,23);1-2H3.
What are the key properties of ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide?
ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide has a molecular weight of 372.55 g/mol, XLogP of 1.09, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[methyl-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]amino]ethyl]-1-propylazetidine-2-carboxamide is sourced from PubChem (CID 154671529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).