N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide

C13H24N2O4 — CID 107389554

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C13H24N2O4/c1-4-14-11-8-17-7-10(11)12(16)15-5-9-6-18-13(2,3)19-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyUJZSMRZZPHDPCJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.12
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 107389554) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide
PubChem CID107389554
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C13H24N2O4/c1-4-14-11-8-17-7-10(11)12(16)15-5-9-6-18-13(2,3)19-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyUJZSMRZZPHDPCJ-UHFFFAOYSA-N
XLogP-0.12
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
4-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]oxolane-3-carboxamide
CID 114400004
4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide
CID 114143542
4-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide
CID 66257352
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103800557
4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
CID 106221939
4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
CID 107389239
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 113307998
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
CID 66260092
4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103966758
4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-3-carboxamide
CID 66260386

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide (CID 107389554) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is UJZSMRZZPHDPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-14-11-8-17-7-10(11)12(16)15-5-9-6-18-13(2,3)19-9/h9-11,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 272.34 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 107389554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).