N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide

C14H26N6O3 — CID 133268591

IUPACN-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)N[C@H]1COCC[C@H]1OCCN(C)C
InChIInChI=1S/C14H26N6O3/c1-11-16-17-18-20(11)6-4-14(21)15-12-10-22-8-5-13(12)23-9-7-19(2)3/h12-13H,4-10H2,1-3H3,(H,15,21)/t12-,13+/m0/s1
InChIKeyJOMDVJRLANMPMX-QWHCGFSZSA-N
MW326.40 g/mol
LogP-0.78
Rot. Bonds8

About N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide

N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 133268591) has the molecular formula C14H26N6O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID133268591
Molecular FormulaC14H26N6O3
Molecular Weight326.40 g/mol
Exact Mass326.21
IUPAC NameN-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)N[C@H]1COCC[C@H]1OCCN(C)C
InChIInChI=1S/C14H26N6O3/c1-11-16-17-18-20(11)6-4-14(21)15-12-10-22-8-5-13(12)23-9-7-19(2)3/h12-13H,4-10H2,1-3H3,(H,15,21)/t12-,13+/m0/s1
InChIKeyJOMDVJRLANMPMX-QWHCGFSZSA-N
XLogP-0.78
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
CID 133266265
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 91761241
(1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide
CID 155492536
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91784775
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide
CID 133267426
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide
CID 91798271
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 91783291
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-thiophen-3-ylpropanamide
CID 91790379
N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 133267438
N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 133266943
2-[(3R,4S)-3-[4-(3,5-dimethylpyrazol-1-yl)butanoylamino]oxan-4-yl]oxyacetic acid
CID 91788680
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91762804

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide (CID 133268591) is N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1CCC(=O)N[C@H]1COCC[C@H]1OCCN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is JOMDVJRLANMPMX-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H26N6O3/c1-11-16-17-18-20(11)6-4-14(21)15-12-10-22-8-5-13(12)23-9-7-19(2)3/h12-13H,4-10H2,1-3H3,(H,15,21)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 326.40 g/mol, XLogP of -0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 133268591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).